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Lecture Notes for Quantum Mechanics

F.H.L. Essler
The Rudolf Peierls Centre for Theoretical Physics
Oxford University, Oxford OX1 3PU, UK

January 26, 2020

Please report errors and typos to fab@thphys.ox.ac.uk

c 2018 F.H.L. Essler

Niels Bohr (Nobel Prize in Physics 1922).

“If quantum mechanics hasn’t profoundly shocked you,
you haven’t understood it yet.”

A visitor to Niels Bohr’s country cottage, noticing a horse

shoe hanging on the wall, teased Bohr about this ancient
superstition. Can it be true that you, of all people, believe
it will bring you luck? Of course not, replied Bohr, but I
understand it brings you luck whether you believe it or not.

Contents

I The Mathematical Structure of Quantum Mechanics 4

1 Probability Amplitudes and Quantum States 4

1.1 Probability Amplitudes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4
1.2 Complete sets of amplitudes and quantum states . . . . . . . . . . . . . . . . . . . . 7
1.3 Dirac notation for complex linear vector spaces . . . . . . . . . . . . . . . . . . . . 8
1.3.1 Dual (“bra”) states . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8
1.4 ... and back to measurements . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9
1.5 Arbitrariness of the overall phase . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10

2 Operators and Observables 11

2.1 Hermitian Operators . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12
2.2 Commutators and Compatible Observables . . . . . . . . . . . . . . . . . . . . . . . . . 14
2.3 Expectation Values . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16

3 Position and Momentum Representations 17

3.1 Position Representation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17
3.1.1 Position operator . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18
3.1.2 Position representation for other operators . . . . . . . . . . . . . . . . . . 18

1
3.2 Heisenberg Uncertainty Relation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19
3.3 Momentum Representation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20
3.4 Generalization to 3 Dimensions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21

4 Time Evolution in Quantum Mechanics 21

4.1 Time dependent Schrödinger equation and Ehrenfest’s theorem . . . . . . . . . . 21
4.2 Time independent Schrödinger equation . . . . . . . . . . . . . . . . . . . . . . . . . . 23
4.3 Schrödinger equation in the position representation . . . . . . . . . . . . . . . . . . 24
4.4 Probability Current . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25

II Wave Mechanics and Oscillators 26

5 Wave mechanics 26
5.1 Free particle in one dimension . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26
5.2 Infinite square well . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27
5.3 Finite square well . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28
5.4 Split infinite square well . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30
5.5 Scattering of free particles . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32
5.6 Resonant Scattering . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33

6 Harmonic Oscillators 37
6.1 Ground state of the Quantum Harmonic Oscillator . . . . . . . . . . . . . . . . . . 40
6.2 Excited states of the Quantum Harmonic Oscillator . . . . . . . . . . . . . . . . . 41
6.3 What oscillates in the quantum harmonic oscillator? . . . . . . . . . . . . . . . . . 42
6.4 Quantum vs classical harmonic oscillator . . . . . . . . . . . . . . . . . . . . . . . . 42

III Transformations 49

7 Transformations and Symmetries 49

7.1 Translations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 49
7.1.1 Expectation values . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50
7.1.2 Wave functions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51
7.1.3 Translational Invariance and momentum as a “good quantum number” . . 51
7.2 Reflections (Parity) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52
7.3 Rotations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54

8 Heisenberg picture and Heisenberg equation of motion 55

Some general remarks:

These notes aim to be self-contained. Homework questions are are placed at appropriate positions in
the text, i.e. to work them out you will require only the preceeding material. Questions marked by a
star are optional. Asides give details on derivations we don’t have time to go through in the lectures, or
present material that goes beyond the core of the course. In some cases this material will be very useful for
particular homework problems. Exercises are small problems that should be worked out after the lecture
they pertain to. They are meant to ensure that you are continuously engaged with the course and not only
the days immediately preceeding a tutorial.
This course aims to give an introduction to Quantum Mechanics. Let us start with some general context.

• QM is arguably humanity’s greatest achievement. Actually, forget about the “arguably” part...

2
• Its understanding is the basis of much of our technological progress over the last 80 years.

• QM is intellectually challenging and only a minute fraction of humanity has any idea what it is about.

• We don’t have an intuitive understanding of QM. As Richard Feyman famously said “Nobody under-
stands quantum mechanics”. An important addendum to this statement is that one naturally can not
understand QM on a multitude of different levels, and the ultimate aim of this course is to elevate
your ununderstanding to levels beyond your wildest imagination. Your ultimate goal should of course
be to reach Feynman’s level of ununderstanding...

Figure 1: Richard Feynman (Nobel Prize in Physics 1965).

Part I
The Mathematical Structure of Quantum
Mechanics
αγωµτ ρητ ωζ µηδιζ ισιτ ω Inscription on Plato’s door.

QM is fundamentally different from Classical Mechanics in several ways:

• It does aim to provide a description of physical reality, but merely to make predictions for measure-
ments. It is by its very design a theory of measurement.

• It accounts for the fact that measurements disturb the system; if the latter is small this is a large
effect!

• QM is inherently probabilistic in nature: in general it cannot predict the outcome of a particular

measurement exactly, but it rather provides a probability distribution for a set of possible outcomes.
Examples of quantities that can be measured are energy, momentum, position, angular momentum.
These are called observables. Measuring an observable can in general have many possible outcomes.
These can be either discrete or continuous: position measurements will typically result in an outcome
that various continuously in some interval [a, b], but measuring energy will often result in a “quantized”
set of outcomes E1 , E2 , ... Note that here and in the following we think of measurements in a rather
abstract way and are not concerned with questions of experimental inaccuracies.

3
The aim of QM is to provide probability distributions associated with measurements of observables
X
P (E1 ), P (E2 ), . . . P (Ej ) = 1. (1)
j

These distributions give us a statistical understanding of what happens if we repeat a given experiment
many times.

1 Probability Amplitudes and Quantum States

1.1 Probability Amplitudes
A key aspect of QM is that probability enters in an unusual way. To stress this point let’s recall that
“classical” probabilities fulfil rules like
• If A,B are independent events with probabilities P(A) and P(B), then the probability for A and B is
P(A and B)= P(A)P(B).

• If A,B are exclusive events with probabilities P(A) and P(B), then the probability for A or B is P(A
or B)= P(A)+P(B).
QM works differently by construction. To understand why we follow Master Quantum Mechanic Richard
Feynman’s exquisite discussion (Feynman Lectures on Physics Vol 3) of double-slit thought experiments,
which, incidentally, in German is of course a single word “Doppelspaltgedankenexperimente” – don’t you
just love it!
Feynman first considers the double-slit experiment for classical bullets. These can go through either slit,

Figure 2: A double-slit experiment with indestructable bullets.

and the probability P12 (x) of bullets arriving at position x on the detector screen is simply the sum of the
probabilities P1 (x) and P2 (x) obtained by closing holes 2 and 1 respectively, i.e.

P12 = P1 + P2 . (2)

So for classical bullets we are dealing with classical probabilities.

Quantum mechanics works completely differently, as can be seen by repeating the double-slit experiment
for electrons. What one observes is that electrons still reach the detector in “lumps”, but now P12 (x) 6=
P1 (x) + P2 (x). Moreover, the observed probability distribution looks suspiciously like the interference
pattern we would observe when conducting the experiment with waves! For waves we understand perfectly
that intensities do not add, but instead we have

I1 = |h1 |2 , I2 = |h2 |2 , I12 = |h1 + h2 |2 , (3)

4
Figure 3: A double-slit experiment with (a) electrons and (b) waves.

where h1,2 are the amplitudes of the waves. What the Doppelspaltgedankenexperiment shows is that elec-
trons in some way behave like particles (lumpiness at detector) and in some ways like waves (interference)!
This is called particle-wave duality.
The way to encode the baffling interference phenomenon into the fabric of QM is to postulate that the
fundamental objects in QM are not probabilities, but probability amplitudes A.
Postulate 1: Probabilities from Probability Amplitudes

Probability amplitudes are complex numbers associated with the outcomes of measurements. The
corresponding probabilities are obtained as

P (A) = |A|2 . (4)

If there are several ways of arriving at a particular measurement outcome the associated probability
amplitudes add.

This postulate allows us to understand why there is an interference pattern in out double-slit experiment
for electrons. By Postulate 1 we have

P (x) = |Probability amplitude to go from the electron gun to x|2 . (5)

Clearly there are two paths from the gun G to position x on the screen. The electron could travel via slit 1
or via slit 2. Denoting the associated probability amplitudes by A(1) and A(2) respectively we have by our
postulate
P (x) = |A(1) + A(2)|2 , (6)
because probability amplitudes add. Working this out we have

P (x) = |A(1)|2 + |A(2)|2 + 2Re [A(1)A∗ (2)] . (7)

| {z }
“Interference term”
p
Expressing the complex amplitudes in terms of their magnitudes and phases A(1) = P (1)eiφ(1) we can
rewrite this as p
P (x) = P (1) + P (2) + 2 P (1)P (2) cos φ(1) − φ(2) . (8)
This is clearly very different from the “classical” rule for adding probabilities for exclusive events! For x ≈ 0
we have P (1) ≈ P (2) and therefore

P (x) ≈ 2P (1) 1 + cos φ(1) − φ(2) . (9)

5
The “classical” result would simply be 2P (1), while QM predicts a probability distribution that oscillates
between 0 and 4P (1) as a consequence of “QM interference”. Before we take leave of our double-slit
experiments there is one more variation we need to consider. Now we position a light source behind the double

Figure 4: Double-slit experiments with electrons where we measure through which slit the electrons go.

slit, which allows us to measure through which slit the individual electrons go. In this experimental setup
the interference disappears and probabilities add! If this does not give you goosebumps there is something
seriously wrong with you! Our framework for QM will have to account for this bizarre interference-killing
effect as well.
NB 1
The fundamental idea in QM is to associate probability amplitudes with measurement outcomes of
given observables.

• Example 1: Let E0 , E1 , . . . be the possible outcomes of an energy measurement. With each energy
we associate a complex probability amplitude A(Ej ) such that the probability for measuring Ej is
P (Ej ) = |A(Ej )|2 and X
P (Ej ) = 1. (10)
j

• Example 2: Consider a position measurement in one dimension (like the one above). The possible
outcomes are then real numbers in some interval x ∈ [a, b]. With each position x we associate a
complex probability amplitude ψ(x) such that P (x) = |ψ(x)|2 and
Z b
dx P (x) = 1. (11)
a

In this case the set of probability amplitudes can be viewed as a complex valued function.

1.2 Complete sets of amplitudes and quantum states

Knowing all amplitudes A(Ej ) provides us with a probabilistic description of repeated energy measurements
in the following sense.

• Set up an experiment in a particular way. This fixes a particular set of probability amplitudes
{A(E0 ), A(E1 ), . . . }.

• Measure the energy. The result is Ej Write the result down.

6
• Repeat the experiment many times (we imagine that we can set things up in precisely the same way
each time). The ultimate result of our efforts is a histogram that gives probabilities P (Ej ) for the
various observed measurement outcomes Ej . QM asserts that P (Ej ) = |A(Ej )|2 .

• Changing our experimental setup would result in a different set of amplitudes {A0 (E0 ), A0 (E1 ), . . . }.

So far so good. The next step is a crucial one.

Definition 1 A key aspect of QM is that specifying amplitudes for e.g. an energy measurement can provide
enough information to obtain probabilistic descriptions of measurement outcomes of any other observable.
Such sets of amplitudes are called complete.

An efficient way of encoding the information contained in a complete set of amplitudes {A(E0 ), A(E1 ), . . . }
is to combine them into a vector
|ψi = (A(E0 ), A(E1 ), . . . ). (12)
We call this a state or ket-state using a terminology (and very clever notation) invented by P.A.M. Dirac.

Paul A.M. Dirac (Nobel Prize in Physics 1933).

“If you are receptive and humble, mathematics will
lead you by the hand”.

1.3 Dirac notation for complex linear vector spaces

It is easy to see that ket states form a complex linear vector space V . Addition of two kets is defined in
terms of addition of the associated amplitudes

|ψi + |φi = (A(E0 ) + A0 (E0 ), A(E1 ) + A0 (E1 ), . . . ) , (13)

while multiplication by complex numbers is defined as

c|ψi = (cA(E0 ), cA(E1 ), . . . ). (14)

The vector space structure makes it clear that there are special states such that all amplitudes are zero except
A(Ej ) = 1. We denote these states by |Ej i. By construction they are such that an energy measurement in
a system described by the ket |Ej i returns the result Ej with probability 1. In other words they are states
of definite energy. If {A(Ej )} is a complete set of amplitudes these form a basis of V : any ket |ψi can be
expressed as a linear combination X
|ψi = ψj |Ej i , ψj ∈ C. (15)
j

7
1.3.1 Dual (“bra”) states
Given a state |ψi we want a quick way for extracting individual amplitudes. Mathematically speaking we
are searching for linear maps

V −→ C
|ψi −→ ψj (16)

such that α|ψi + β|φi maps to αψj + βφj . For finite dimensional linear vector spaces such maps form a
linear vector space V ∗ , the dual space, of the same dimension as V . Dirac notations provide us with a very
neat way of constructing a basis of V ∗ :

• Start with an orthonormal basis B = {|ji} of V.

• Define corresponding “bra” states hj| ∈ V ∗ by specifying their action on B

hn|ji = δn,j , “bra-ket” – Dirac’s only joke. (17)

P
• Extend this to general states |ψi = j ψj |ji by the rule
X
hψ| = ψj∗ hj| . (18)
j

In this way hψ|φi turns into the usual scalar product for complex linear vector spaces
X
hψ|φi = ψj∗ φj = (hφ|ψi)∗ , (19)
j

and X
hψ|ψi = |ψj |2 ≥ 0 “Length” of |ψi. (20)
j

NB 2
he length of state vectors in QM must always be 1, because probabilities must add up to 1.

1.4 ... and back to measurements

To describe the measurement of an observable A we express the ket |ψi that describes our system as a linear
combination of basis states that correspond to definite outcomes aj
X X
|ψi = ψj |aj i , ψj = haj |ψi , |ψj |2 = 1. (21)
j j

The probability to obtain aj in our measurement is

|ψj |2 = |haj |ψi|2 “Born’s rule.” (22)

An important question is what “state” a quantum mechanical system is in just after a particular observable
has been measured. As QM deals with very small things measurements can greatly disturb the QM system,
i.e. change its QM state. What should we expect? To be more precise let’s start with a QM system described
by the state |ψi, then measure the observable A and obtain the result aj .

8
Figure 5: Max Born (Nobel Prize in Physics 1954) ... and his more famous granddaughter. Born is said to
have thought that the Copenhagen interpretation of QM should really be called the Göttingen interpretation.
He has a point...

Postulate 2: Projective nature of measurements

We expect that if we measure A again straight away, we will obtain the result aj with certainty.
This is only possible if the first measurement leaves the system in the state |aj i – meaning that
measurements are projective:

|ψi −→ measure A, obtain result aj ⇒ system left in the state |aj i.

(23)

1.5 Arbitrariness of the overall phase

Hence the possible measurement outcomes are again given by the set {aj } and the corresponding probabilities
are
|haj |ψ 0 i|2 = |eiα haj |ψi|2 = |haj |ψi|2 . (25)
This tells us that |ψi and eiα |ψi describe the same quantum mechanical state. In the mathematical literature
the states eiα |ψi, α ∈ R are called a ray. In practice we will always fix the overall phase of quantum states
in a convenient way.

Summary 1

1. QM systems are described by quantum “ket” states |ψi. These correspond to different ways
of experimentally “setting up” the system. States that differ only by an overall phase factor

9
describe the same physical situation and are to be identified.

2. Kets form a complex linear vector space V .

3. To each state |ψi we can associate a complex valued linear map hψ|. These “bra-vectors” form
a linear vector space V ∗ of the same dimension as V .

4. To describe a measurement of an observable A we express the state |ψi describing our system
as a linear superposition of basis states that correspond to definite measurement outcomes aj
for A X X
|ψi = ψj |aj i , ψj = haj |ψi , |ψj |2 = 1. (26)
j j

The probability to obtain aj in our measurement is

|ψj |2 = |haj |ψi|2 “Born’s rule.” (27)

5. After the measurement the system is left in the state |aj i (if the outcome of the measurement
was aj ).

Homework 1: Probability amplitudes, probabilities and Dirac notation

1.1 What physical phenomenon requires us to work with probability amplitudes rather than with
probabilities?
1.2 Given that |ψi = eiπ/5 |ai + eiπ/4 |bi, express hψ| as a linear combination of ha| and hb|.
1.3 An electron can be in one of two potential wells that are so close that it can ‘tunnel’ from one to
the other. Its state vector can be written

|ψi = a|Ai + b|Bi, (28)

where |Ai is the state of being in the first well and |Bi is the state of being in the second well and all
kets are correctly normalised. What is the √ probability of finding the particle in the first well given
iπ 1
that: (a) a = i/2; (b) b = e ; (c) b = 3 + i/ 2?
1.4 An electron can “tunnel” between potential wells that form a linear chain, so its state vector can
be written as
X∞
|ψi = an |ni, (29)
n=−∞

where |ni is the state of being in the nth well, where n increases from left to right. Let
|n|
1 −i 2
an = √ einπ . (30)
2 3

(a) What is the probability of finding the electron in the nth well?
(b) What is the probability of finding the electron in well 0 or anywhere to the right of it?

2 Operators and Observables

In the lab we (i.e. our experimental colleagues) can manipulate quantum states, i.e. devise protocols that
map states to other states. In our mathematical framework this is described by considering linear operators

10
acting on V

O: V −→ V
|ψi −→ O|ψi , (31)

where O(α|ψi + β|φi) = αO|ψi + βO|φi. Dirac notation provides us with a very useful way of expressing
operators. A general operator can be expressed in terms of basis states |ji and their dual states hj| as
follows:
• The object |jihk| is a linear operator.
Proof:
|kihj| α|ψi + β|ψi = |ki αhj|ψi + βhj|ψi = αhj|ψi |ki + βhj|ψi|ki . (32)
| {z }
∈C

• The identity operator is X

1= |jihj|. (33)
j
P
Proof: Act with 1 on a general state |ψi = k ψk |ki:
X X X X
|jihj| |ψi = ψk |ji hj|ki = ψk |ki = |ψi. (34)
| {z }
j k j δj,k k

• A general operator A can be written in the form

X
A= hj|A|ki |jihk| .
j,k
(35)

the complex numbers hj|A|ki are called matrix elements of A in the basis {|ji}.
Proof: X X
A = 1A1 = |jihj| A |kihk| . (36)
j k

NB 3
For finite dimensional linear vector spaces linear operators correspond to square matrices.

Like for matrices, a very useful way to characterize an operator is through its eigenvalues and eigenvectors
(“eigenstates”). The eigenvalue equation for an operator O is

O|oj i = oj |oj i.
(37)

The eigenvalues {oj } form the spectrum of the operator O. The most important operator in QM is the
Hamiltonian, or energy operator. It is defined by
X
H= Ej |Ej ihEj |,
j
(38)

where |Ej i are the quantum states introduced above that give result Ej with probability one when the
energy is measured.The Hamiltonian fulfils by construction

H|Ej i = Ej |Ej i. (39)

11
Hence the spectrum of the Hamiltonian is equal to the set of possible outcomes of energy measurements.
This generalizes to other observables: with each observable we can associate an operator by
X
A= aj |aj ihaj | , (40)
j

where {|aj i} is a complete set of states that return the result aj with probability one when the observable
under consideration is measured. As the outcomes of the measurements we have in mind (energy, momentum,
position etc) are real numbers the operators representing observables must be special.

2.1 Hermitian Operators

In QM observables are represented by Hermitian operators

A Hermitian ⇔ (hφ|A|ψi)∗ = hψ|A|φi .

(41)

Hermitian operators have three crucial properties that we will use constantly in the following:

(H1) Their eigenvalues are real.

(H2) Eigenstates corresponding to different eigenvalues are orthogonal

haj |ak i = 0 if aj 6= ak . (42)

(H3) One can always construct an orthonormal basis of V from the eigenstates of a Hermitian operator.

Aside 1: Hermitian Operators

You have already seen this in your Linear Algebra course, but in order to be self-contained and to
get you fluent in Dirac notations the proofs of these statements are summarized below. Let A be a
Hermitian operator with eigenvalue equation

A|ak i = ak |ak i. (43)

• Setting k = ` gives
(a∗` − a` )ha` |a` i = 0, (46)
which implies
a` = a∗` ⇒ (H1). (47)

• Taking ak 6= a` in (45) we have

ha` |ak i = 0 , (48)
which immediately implies (H2).

12
• For eigenstates with the same eigenvalue we can carry out a Gram-Schmidt orthogonalization
procedure. Together with (H2) this implies (H3).

Definition 2 The Hermitian conjugate B † of an operator B is defined by

hφ|B † |ψi = (hψ|B|φi)∗ . (49)

Hermitian operators fulfil A = A† . The following rules for taking Hermitian conjugates will be useful:

(A + B)† = A† + B † , (50)
† ∗ †
(cA) = c A , (51)
† † †
(AB) = B A . (52)

Aside 2: Hermitian conjugation

The properties (52) are straightforward to establish and provide an excellent exercise in Dirac notation
(so make sure that you are happy with each of the steps!). The first property follows from considering

hφ|(A + B)† |ψi = (hψ|A + B|φi)∗ = (hψ|A|φi)∗ + (hψ|B|φi)∗ = hφ|A† |ψi + hφ|B † |ψi. (53)

The second property holds because

hφ|(cA)† |ψi = (hψ|cA|φi)∗ = (chψ|A|φi)∗ = c∗ hφ|A† |ψi (54)

To establish the third property consider

X X
hψ|(AB)† |φi = (hφ|AB|ψi)∗ = (hφ|A |kihk| B|ψi)∗ = (hφ|A|ki)∗ (hk|B|ψi)∗
k k
| {z }
1
X X
= hk|A† |φihψ|B † |ki = hψ|B † |kihk|A† |φi = hψ|B † A† |φi. (55)
k k

1.6 Which of the following operators are Hermitian, given that Â and B̂ are Hermitian:
Â + B̂; cÂ; ÂB̂; ÂB̂ + B̂ Â.
Show that in one dimension, for functions which tend to zero as |x| → ∞, the operator ∂/∂x is not
Hermitian, but −i~∂/∂x is. Is ∂ 2 /∂x2 Hermitian?
1.7 Given that Â and B̂ are Hermitian operators, show that i[Â, B̂] is a Hermitian operator.

13
1.8 Given that for any two operators (ÂB̂)† = B̂ † Â† , show that

(ÂB̂ Ĉ D̂)† = D̂† Ĉ † B̂ † Â† .

2.2 Commutators and Compatible Observables

Definition 3 The commutator of two operators A and B is

[A, B] = AB − BA. (56)

In QM commutators play an important role because of the following theorem.

Theorem 1 Let A and B be two Hermitian operators. If [A, B] = 0 there exists a complete set of simulta-
neous eigenstates of the operators A and B, i.e.

A|uj i = aj |uj i , B|uj i = bj |uj i, (57)

and {|uj i} form a basis of the LVS on which A and B act.

Proof: One direction is simple: if A and B have a complete set of simultaneous eigenstates |uj i we have

huj |[A, B]|uk i = (ak bk − bk ak )huj |uk i = 0, (58)

which implies that the commutator is zero (because the |uj i form a basis). Let’s now turn to the other
direction of the proof, i.e. let’s assume [A, B] = 0 and show that this implies the existence of a complete set
of simultaneous eigenstates. As A is Hermitian we know that is has a complete set of orthogonal eigenstates

A|aj i = aj |aj i , haj |ak i = δj,k . (59)

Now consider the matrix elements of the commutator in this basis

0 = haj |[A, B]|ak i = (aj − ak )haj |B|ak i (60)

This tells us that if all eigenvalues aj are different, we have haj |B|ak i ∝ δj,k , i.e. the eigenstates |aj i of
A are simultaneous eigenstates of B. The situation is a bit more complicated if some of the aj are equal.
Let us assume that n of the aj are equal and let’s label the eigenstates of A such they correspond to
a1 = a2 = · · · = an = a. Then
(i) Any linear combination nj=1 αj |aj i is an eigenstate of A with eigenvalue a.
P

(ii) On the subspace spanned by {|a1 i, . . . , |an i} B is represented by Hermitian matrix Bjk = haj |B|ak i.
Hence it can be diagonalized, i.e. we can construct eigenstates |uk i of B by taking appropriate linear
(k)
combinations of the |uk i = nj=1 βj |aj i. These are simultaneous eigenstates of A by (i).
P

This generalizes straightforwardly to the case where we have several “degenerate” eigenvalues.
Even though all this Linear Algebra is of course very interesting in itself, you may be asking yourselves at
this point what on earth this has to do with QM. As you may have guessed, it has to do with measurements!
Let us consider two Hermitian operators A and B that correspond to two observables in an experiment. We
know that the respective eigenstates of A and B can be used to construct an orthonormal basis of our linear
vector space of quantum states
X X
A|ai i = ai |ai i, B|bi i = bi |bi i ⇒ |ψi = hai |ψi |ai i = hbi |ψi |bi i. (61)
i i

Let us now make the following Gedankenexperiment: we first measure the observable corresponding to A,
and then straight away measure the observable corresponding to B (without re-initializing our experiment).
We want to compare this to the reverse order of measurements. Here we go:

14
• Measure A, then B

|ψi −→ measure A: ai with prob. |hai |ψi|2 , system in state |ai i

−→ measure B: bj with prob. |hbj |ai i|2 . (62)

So the final outcome is a table of outcomes with associated probabilities

outcome (ai , bj ) probability |hai |ψi|2 |hbj |ai i|2 (63)

• Measure B, then A

|ψi −→ measure B: bj with prob. |hbj |ψi|2 , system in state |bj i

−→ measure A: ai with prob. |hai |bj i|2 . (64)

So here the final outcome is a table

outcome (ai , bj ) probability |hbj |ψi|2 |hai |bj i|2 (65)

Clearly, the tables of measurement outcomes we obtain in the two ways will generally be different! That. Is.
Deep. If the order of measurement does not matter, the observables corresponding to A and B are called
compatible. As the order of measurement for two compatible observables does not matter and we always
end up in a quantum state where both observables have a definite value, one could in principle set up an
experiment that measures both observables simultaneously.

Theorem 2 Two observables are compatible if and only if the commutator between the associated Hermitian
operators vanishes
[A, B] = 0. (66)

Proof: If [A, B] = 0 there exists a basis of simultaneous eigenstates of A and B. Using this basis in the
above consideration it is easy to see that the two outcomes are identical. On the other hand, if [A, B] 6= 0
there must be at least one eigenstate |aj i of A that is not an eigenstate of B. As the state |ψi above is
arbitrary we can choose it to be |aj i. By considering the two sets of outcomes we see that they can only be
equal if |aj i is an eigenstate of B, giving a contradiction. This completes the proof.
Homework 3: Commutators

1.9 Show that if there is a complete set of mutual eigenkets of the Hermitian operators Â and B̂,
then [Â, B̂] = 0. Explain the physical significance of this result.
1.10 Does it always follow that if a system is an eigenstate of Â and [Â, B̂] = 0 then the system will
be in a eigenstate of B̂? If not, give a counterexample.
1.11 Show that
(a) [ÂB̂, Ĉ] = Â[B̂, Ĉ] + [Â, Ĉ]B̂
(b) [ÂB̂ Ĉ, D̂] = ÂB̂[Ĉ, D̂] + Â[B̂, D̂]Ĉ + [Â, D̂]B̂ Ĉ. Explain the similarity with the rule for differen-
tiating a product.
(c) [x̂n , p̂] = i~nx̂n−1
(d) [f (x̂), p̂] = i~ df
dx for any function f (x).

15
1.12 Let A and B be two Hermitian operators. Prove that if [A, B] = 0 there exists a complete set
of simultaneous eigenstates of the operators A and B, i.e.

A|uj i = aj |uj i , B|uj i = bj |uj i, (67)

and {|uj i} form a basis of the LVS on which A and B act.

1.13 Prove that two observables are compatible if and only if the commutator between the associated
Hermitian operators vanishes.
1.14 What does it mean to say that two operators commute? What is the significance of two
observables having mutually commuting operators?
Given that the commutator [P, Q] 6= 0 for some observables P and Q, does it follow that for all
|ψi =
6 0 we have [P, Q]|ψi =
6 0?

2.3 Expectation Values

Definition 4 The expectation value of an operator O in a quantum state |ψi is defined as

hψ|O|ψi . (68)

Expectation values are hugely important in QM. To see why let us consider a Hermitian operator A = A†
associated with some observable. Any state can be written as linear combination of the eigenstates of A
(why?) X
|ψi = haj |ψi |aj i. (69)
j

Hence
X
hψ|A|ψi = aj |haj |ψi|2 .
j
(70)
This expression has an important physical meaning: aj are the outcomes of measuring the observable to
which A corresponds, and |haj |ψi|2 are the associated probabilities.
NB 4
So the expectation value gives the average over many measurements of our observable when the
system is in the quantum state |ψi.

Let us now consider the expectation values

X
hψ|An |ψi = anj |haj |ψi|2 . (71)
j

These are nothing but the moments of the probability distribution associated with measuring the observable
associated with A in the state |ψi! Nice.

3 Position and Momentum Representations

All animals are equal, but some are more equal than others. George Orwell.
The basic objects in QM are quantum states. In order to work with them we usually express them in
some particular basis. Which choice is most convenient depends on the particular problem one is interested
in. Having said this, some choices of basis are of particular importance.

16
3.1 Position Representation
This is obtained by working with probability amplitudes ψ(x) for finding a particle at position x (in 1
dimension). In Dirac notation Z
|ψi = dx ψ(x) |xi, (72)

where |xi are quantum states in which a position measurement returns the result x with probability 1.

Definition 5 The probability amplitude ψ(x) is called a wave function.

Now recall that we introduced bra-vectors to extract amplitudes from states. Here we want
Z
hx0 |ψi = ψ(x0 ) = dx ψ(x) hx0 |xi. (73)

This requires
hx0 |xi = δ(x − x0 ), (74)
where δ(x) is the Dirac delta-function. Indeed, a defining property of the delta-function is that (for all
sufficiently well-behaved functions f (x))
Z ∞
dx f (x) δ(x − x0 ) = f (x0 ). (75)
−∞

At this point students usually feel somewhat uncomfortable, because the scalar product of bras and kets
involves a delta-function rather than a Kronecker delta. The reason for this is that x is a continuous
variable and the same situation arises for other observables where the outcome of measurements can vary
continuously. The resolution of the identity in terms of the states |xi reads
Z
1 = dx |xihx|. (76)

Check: Z Z
1|ψi = dx |xihx|ψi = dx ψ(x) |xi. (77)

3.1.1 Position operator

Given a basis of states of definite position we can introduce the associated position operator
Z
x̂ = dx x |xihx|.
(78)

By construction the position operator has eigenstates |xi with eigenvalues x

It acts on general states as Z Z

x̂|ψi = dx x |xihx|ψ = dx xψ(x) |xi , (80)

i.e. it multiplies the wave function by x. By concatenating (79) we find

x̂n |x0 i = (x0 )n |x0 i, (81)

17
and therefore
V (x̂)|x0 i = V (x0 )|x0 i ,
(82)
where V (x) is a function that is to be understood in terms of its Taylor expansion around x = 0. For a QM
particle moving in one dimension V (x̂) would be the operator describing its potential energy. (Why?) We
note that Z
hψ|x̂ |ψi = dx |ψ(x)|2 xn ,
n
(83)

so hψ|x̂|ψi is the average position and hψ|x̂2 |ψi − hψ|x̂|ψi2 the variance if we look at the histogram of many
position measurements.

3.1.2 Position representation for other operators

An important question is how other operators look like in the position representation. For a general operator
A we have Z
A = 1 A 1 = dx dx0 |xihx0 | hx|A|x0 i. (84)

As usual in order to define the operator we require its matrix elements hx|A|x0 i. A particular important
operator is the momentum operator. It is defined (in one dimension) as
Z
p̂ = dp p |pihp|, (85)

where |pi are states such that a momentum measurement returns the value p with certainty. In the position
representation (see below for some motivation) one has

∂
hx|p̂|x0 i = −i~ δ(x − x0 ).
∂x (86)

This gives
Z
∂ψ(x)
hx|p̂|ψi = dx0 hx|p̂|x0 i ψ(x0 ) = −i~ .
∂x
(87)

Aside 3: Momentum operator

At this point we have simply asserted that the position representation of the momentum operator is
given by eqn (86). The justification will be given in Part III of the lectures, when we will consider
translations in QM. The logic that underlies the identification of the momentum operator goes as
follows. In classical mechanics momentum can be defined as the generator of translations. One then
defines the momentum operator in quantum mechanics as the generator of translations in QM. This
leads to (86).

18
3.2 Heisenberg Uncertainty Relation

Werner Heisenberg (Nobel Prize in Physics 1932).

“What we observe is not nature itself, but nature exposed to
our method of questioning.”

Heisenberg also gave an excellent definition of experts: “An

expert is someone who knows some of the worst mistakes
that can be made in their subject, and how to avoid them.”

Let us consider the commutator [x̂, p̂]

hψ|(x̂ − x0 )2 |ψi , hψ|(p̂ − p0 )2 |ψi, (90)

where x0 = hψ|x̂|ψi and p0 = hψ|p̂|ψi. For general Hermitian operators A = A† and B = B † we have

2i Imhψ|AB|ψi = hψ|[A, B]|ψi. (91)

But the imaginary part of a complex number is always smaller than its magnitude and so

Imhψ|AB|ψi ≤ |hψ|AB|ψi|. (92)

Next we use the Schwarz inequality, which in Dirac notations reads

|hφ|φ0 i| ≤ hφ|φi hφ0 |φ0 i.

p
(93)

In the usual vector notation and for real vector spaces this reads |~a · ~b| ≤ ||~a|| ||~b||, which is obviously true
because ~a ·~b = ||~a|| ||~b|| cos ϕ, where ϕ is the angle between the two vectors. Applying the Schwarz inequality
to the states B|ψi and A|ψi on the rhight-hand-side of (92) and then using (91) we obtain
1 p
hψ|[A, B]|ψi ≤ hψ|A2 |ψi hψ|B 2 |ψi. (94)
2i
Finally we substitute A = x̂ − x0 , B = p̂ − p0 and use [A, B] = i~ to arrive at the Heisenberg uncertainty
relation
~ p p
≤ hψ|(x̂ − x0 )2 |ψi hψ|(p̂ − p0 )2 |ψi .
2 | {z }| {z }
∆X ∆P
(95)

19
The physical content of the Heisenberg uncertainty relation is that the product of the variances of the QM
probability distributions for position and momentum measurements must always be larger than (~/2)2 . So
if the state |ψi is such that the variance of the position probability distribution is very small, i.e. we can
determine the position very precisely, the variance of the probability distribution of momentum must be
large enough to satisfy the inequality (95), i.e. very large. So, in a probabilistic sense, we can never know
both the position and the momentum of a particle very precisely.

3.3 Momentum Representation

Momentum eigenstates fulfil p̂|pi = p|pi. We can work out the corresponding wave functions by considering

∂
hx|p̂|pi = −i~ hx|pi = phx|pi. (96)
∂x
This is a first order ODE with solution
i
hx|pi = A e ~ px .
(97)
So the wave function of momentum eigenstates are plane waves! As |hx|pi|2 = |A|2 is position independent
a particle in a momentum eigenstates is equally likely to be found anywhere in space when its position is
measured. The constant A is fixed by the normalization condition

hp|p0 i = δ(p − p0 ) , (98)

which ensures that the resolution of the identity has the form
Z
1 = dp |pihp|. (99)

This is precisely the (inverse) Fourier transformation of the wave function!

3.4 Generalization to 3 Dimensions

In three spatial dimensions we use a basis of quantum states |~xi of definite position ~x = (x, y, z). These
states fulfil the normalization condition

h~x|~x0 i = δ (3) (~x − ~x0 ) = δ(x − x0 )δ(y − y 0 )δ(z − z 0 ). (103)

The resolution of the identity is Z

1= d3 ~x |~xih~x|. (104)

20
A general state can be written as a linear combination of these basis states
Z
|ψi = d3 ~x h~x|ψi |~xi.
| {z }
ψ(~
x)
(105)

By the same kind of argument as in the 1D case we have

V (x̂, ŷ, ẑ)|~xi = V (x, y, z)|~xi, (107)

where V (x, y, z) is to be understood in terms of its Taylor expansion around (0, 0, 0). In D=3 we also have
three components of momentum and can define the associated quantum states |~ pi, which return the result
pα with certainty when the α-component of momentum is measured (α = x, y, z). Their normalization is as
you may have already guessed

h~ p0 i = δ (3) (~
p|~ p − p~0 ) = δ(px − p0x )δ(py − p0y )δ(pz − p0z ). (108)

Following our construction for D=1 we can define three Hermitian operators associated with the three
components of momentum by
p̂α |~
pi = pα |~
pi , α = x, y, z (109)
In the position representation we have
∂ (3)
h~x0 |p̂α |~xi = −i~ δ (~x − ~x0 ) , α = x, y, z. (110)
∂xα
This implies that
∂
h~x|p̂α |ψi = −i~ ψ(~x) .
∂xα
(111)

4 Time Evolution in Quantum Mechanics

Newtonian mechanics is about equations of motion for physical quantities. The analogue in QM is time
evolution of quantum states.

4.1 Time dependent Schrödinger equation and Ehrenfest’s theorem

21
Postulate 3
The time evolution of quantum states is described by the time-dependent Schrödinger equation

∂
i~ |ψ(t)i = H|ψ(t)i,
∂t (112)

where H is the Hamiltonian of the system.

Erwin Schrödinger (Nobel Prize in Physics 1933).

“I insist upon the view that all is waves.”

“I knew of Heisenberg’s theory, of course, but I felt discour-

aged, not to say repelled, by the methods of transcendental
algebra, which appeared difficult to me, and by the lack of
visualizability.” (Schrödinger in 1926)
The more I think about the physical portion of Schrödinger’s
theory, the more repulsive I find it. What Schrödinger
writes about the visualizability of his theory is probably not
quite right, in other words it’s crap (in German “Mist”).”
(Heisenberg, writing to Pauli in 1926).

The associated equation for the bra-state is

∂
−i~ hψ(t)| = hψ(t)|H.
∂t (113)

The general rules are

c|ψi −→ c∗ hψ| , A|ψi −→ hψ|A† .
(114)
To see what the bra-state corresponding to A|ψi is we expand both the state and the operator in a basis
X X
|ψi = ψj |ji , A = hk|A|li |kihl| . (115)
j k,l

Using hl|ji = δl,j we then have X

A|ψi = hk|A|li ψl |ki . (116)
k,l

The associated bra state is

X X X X X
(hk|A|li ψl )∗ hk| = (hk|A|li)∗ ψl∗ hk| = hl|A† |ki ψl∗ hk| = ψl∗ hl|A† |kihk| = hψ|A† . (117)
k,l k,l k,l l k

By combining the TDSEs for |ψ(t)i and hψ(t)| we obtain the evolution equation for the expectation values
of (time-independent) operators

∂
−i~ hψ(t)|O|ψ(t)i = hψ(t)|[H, O]|ψ(t)i .
∂t (118)

22
This is called Ehrenfest’s theorem. As a first application of this equation let us consider a free QM particle
with Hamiltonian H = p̂2 /(2m), i.e. only kinetic energy. Then

∂ 1
−i~ hψ(t)|x̂|ψ(t)i = hψ(t)|[p̂2 , x̂]|ψ(t)i . (119)
∂t 2m
The commutator is worked out using a standard trick

[p̂2 , x̂] = p̂2 x̂ − p̂x̂p̂ + p̂x̂p̂ − x̂p̂2 = p̂[p̂, x̂] + [p̂, x̂]p̂ = −2i~p̂. (120)

This tells us that

∂
hx̂i = hp̂i.
m (121)
∂t
This is precisely what we would expect classically (and shows that our definition of momentum operator is
reasonable).

4.2 Time independent Schrödinger equation

The eigenvalue equation for the Hamiltonian is also known as the time-independent Schrödinger equation

H|En i = En |En i .
(122)

As H is Hermitian we can obtain an orthonormal basis of energy eigenstates and hence write any state as
linear combination X
|ψ(t)i = ψj (t)|Ej i . (123)
j

Substituting this back into the TDSE we have

X ∂ψj (t) X
i~ |Ej i = ψj (t)Ej |Ej i. (124)
∂t
j j

Extracting the amplitudes for |En i by acting with hEn | we have

∂ψn (t)
i~ = En ψn (t) . (125)
∂t
This first order differential equation is easily solved
i
ψn (t) = ψn (0)e− ~ En t . (126)

In Dirac notations
X i
|ψ(t)i = hEn |ψ(0)i e− ~ En t |En i .
n
(127)

23
NB 5
Given the solutions of the time-independent Schrödinger equation we can construct the solutions to
the time-dependent Schrödinger equation for a given initial quantum state |ψ(0)i using (127). This
is why the study of the TISE is so important!

For energy eigenstates themselves we have

i
|En , ti = e− ~ En t |En i .
(128)
So energy eigenstates only acquire a phase under time evolution. As a result the probabilities |hx|En , ti|2
to find a particle in an energy eigenstate at a given position x are time-independent. This is why energy
eigenstates are also known as stationary states.

4.3 Schrödinger equation in the position representation

A key point is that we can express the TDSE in the position representation

∂
hx|ψ(t)i = hx|H|ψ(t)i.
i~ (129)
∂t
This is very useful for Hamiltonians of the form
p̂2
H= + V (x̂) . (130)
2m | {z }
potential energy
|{z}
kinetic energy

Given that
∂ψ(x, t)
hx|p̂|ψ(t)i = −i~ (131)
∂x
we have
∂ψ(x0 , t) 2
Z Z
0 0 0 ∂ 2 ∂ ψ(x, t)
2
hx|p̂ |ψ(t)i = dx hx|p̂|x ihx |p̂|ψ(t)i = −~ 2
dx0 δ(x − x0 ) = −~ . (132)
∂x ∂x0 ∂x2
This gives
~2 ∂ 2 ψ(x, t)
hx|H|ψ(t)i = − + V (x)ψ(x, t) . (133)
2m ∂x2
Substituting this back into (129) we see that for Hamiltonians of the form (130) the TDSE can be represented
as a partial differential equation for the wave function

∂ψ(x, t) ~2 ∂ 2 ψ(x, t)
i~ =− + V (x)ψ(x, t) .
∂t 2m ∂x2 (134)
Now you are starting to see where Schrödinger’s view that “all is waves” comes from! The generalization to
3D is straightforward and we only quote the result

∂ψ(~x, t) ~2 ~ 2
i~ =− ∇ ψ(~x, t) + V (~x)ψ(~x, t) .
∂t 2m (135)
In the position representation the TISE reads

~2 ∂ 2

− + V (x) ψ(x) = Eψ(x) .
2m ∂x2
(136)
Here ψ(x) are the wave functions of energy eigenstates. Many QM text approach the subject using the
position representation on the Schrödinger equation as a starting point.

24
4.4 Probability Current
The probability density of finding a particle at position ~x at time t is according to Born’s rule is

ρ(~x, t) = |ψ(~x, t)|2 = ψ(~x, t)ψ ∗ (~x, t) . (137)

Taking the time derivative gives

∂ρ(~x, t) ∂ψ(~x, t) ∂ψ ∗ (~x, t)

= ψ ∗ (x, t) + ψ(x, t) . (138)
∂t ∂t ∂t
We now use the TDSE for the wave function (135) and its complex conjugate to rewrite the right-hand side

∂ρ(~x, t) i~ ∗
ψ (x, t)∇2 ψ(~x, t) − ψ(x, t)∇2 ψ ∗ (~x, t) .

= (139)
∂t 2m
The right-hand side of this equation can be written as a divergence

∂ρ(~x, t) ~ · J(~
~ x, t) ,
= −∇ (140)
∂t
~ x, t) is called probability current
where J(~

~ x, t) = i~ ψ(x, t)∇ψ
h i
J(~ ~ ∗ (~x, t) − ψ ∗ (x, t)∇ψ(~
~ x, t) . (141)
2m
Eqn (140) takes the form of a continuity equation that expresses the conservation of probability. Its integral
form follows from the divergence theorem
Z Z I
d 3 3 ~ ~ ~ · J(~
~ x, t) ,
d ~x ρ(~x, t) = − d ~x ∇ · J(~x, t) = − d2 S (142)
dt V V ∂V

where ∂V is the boundary of the volume V . So the change in the probability for the particle to be found
inside V is minus the integral over the volume’s bounding surface of the probability flux out of the volume.
Homework 4: Time dependence and the Schrödinger equation

2.1 Write down the time-independent (TISE) and the time-dependent (TDSE) Schrödinger
equations. Is it necessary for the wavefunction of a system to satisfy the TDSE? Under what
circumstances does the wavefunction of a system satisfy the TISE?

2.2 Why is the TDSE first-order in time, rather than second-order like Newton’s equations of motion?

2.3 A particle is confined in a potential well such that its allowed energies are En = n2 E, where
n = 1, 2, . . . is an integer and E a positive constant. The corresponding energy eigenstates are |1i, |2i,
. . . , |ni, . . . At t = 0 the particle is in the state
|ψ(0)i = 0.2|1i + 0.3|2i + 0.4|3i + 0.843|4i.
(a) What is the probability, if the energy is measured at t = 0, of finding a number smaller than 6E?
(b) What is the mean value and what is the rms deviation of the energy of the particle in the state
|ψ(0)i?

25
(c) Calculate the state vector |ψi at time t. Do the results found in (a) and (b) for time t remain
valid for arbitrary time t?
(d) When the energy is measured it turns out to be 16E. After the measurement, what is the state
of the system? What result is obtained if the energy is measured again?

2.4 A particle moves in the potential V (x) and is known to have energy En . (a) Can it have well-
defined momentum for some particular V (x)? (b) Can the particle simultaneously have well-defined
energy and position?
2.5 Let ψ(x, t) be the correctly normalized wave function of a particle of mass m and potential energy
V (x). Write down the expressions for the expectation values of (a) x̂; (b) x̂2 ; (c) p̂x ; (d) p̂2x ; (e) the
energy.
What is the probability that the particle will be found in the interval (x1 , x2 )?

2.6 Consider a quantum mechanical particle with Hamiltonian

p̂2
H= + V (x̂),
2m
that is initially prepared in a state |ψ(0)i. Using the TDSE show that the expectation value of an
operator Q̂ fulfils the following evolution equations
d
i~ hψ(t)|Q̂|ψ(t)i = hψ(t)|[Q̂, H]|ψ(t)i.
dt
Consider the particular cases of the position and momentum operators and comment on the resulting
equations

Part II
Wave Mechanics and Oscillators
Erwin with his psi can do
Calculations quite a few. Erich Hückel, freely translated by Felix Bloch.

5 Wave mechanics
5.1 Free particle in one dimension
Let us start with the case where our QM particle only has kinetic energy. Then the Hamiltonian is
p̂2
H= . (143)
2m
The TISE reads
~2 d2
− ψ(x) = Eψ(x) . (144)
2m dx2
The solutions to this differential equation are the momentum eigenstates
1 i
up (x) = √ e ~ px , (145)
2π~
where the energy is given by
p2
Ep = . (146)
2m

26
In this case the energy eigenvalues are not quantized. Given the energy eigenstates we are now is a position
to solve the time-dependent Schrödinger equation. We need to adjust our previous result
X i
|ψ(t)i = hEn |ψ(0)ie− ~ En t |En i (147)
n

because the energy eigenvalues are continuous rather than discrete here. Using that the energy eigenstates
are also momentum eigenstates we have
Z ∞
ip2
|ψ(t)i = dp hp|ψ(0)ie− 2m~ t |pi. (148)
−∞

The corresponding wave function is

Z ∞
dp ip2 i
hx|ψ(t)i = ψ(x, t) = √ hp|ψ(0)ie− 2m~ t+ ~ px . (149)
−∞ 2π~
Let us consider a state that at time t = 0 corresponds to a Gaussian wave packet
1 x2 i
− 2 + ~ p0 x
ψ(x, 0) = hx|ψ(0)i = 1 e
4σ . (150)
(2πσ 2 ) 4
Going over to the momentum representation we have
14
2σ 2
Z
σ2 2
hp|ψ(0)i = dx hp|xihx|ψ(0)i = e− ~2 (p−p0 ) . (151)
π~2
This describes a superposition of momentum eigenstates with momenta centred around p0 and probability
amplitudes that become very small when |p − p0 | σ~ . Substituting this back into (149) and carrying out
the integral (how?) we obtain
σ σ2 i~t
− (x−p0 t/m)2
|ψ(x, t)|2 = p e 2~2 |b(t)|2 , ~2 b2 (t) = σ 2 + . (152)
2π~2 |b(t)|2 2m

This describes a Gaussian wave packet moving with velocity p0 /m that broadens in time as

~t 2

2 2
σ (t) = σ + . (153)
2mσ
We can understand this by noting that initially there is an uncertainty in momentum (as at time t = 0 we
are dealing with a superposition of momentum eigenstates), which translates into an increasing uncertainty
in position at later times.

5.2 Infinite square well

Let us consider a QM particle moving in a one-dimensional potential well
(
0 if 0 < x < a
V (x) = (154)
∞ else.

The TISE for the wave function ψ(x) reads

~2 d2
− ψ(x) + V (x)ψ(x) = Eψ(x) . (155)
2m dx2
As we are interested in finite E solutions the wave function must vanish at x < 0 and x > a. Continuity at
x = 0, a then imposes the boundary conditions

ψ(0) = 0 = ψ(a). (156)

27
In the interior of the potential we then have
~2 d2
− ψ(x) = Eψ(x) . (157)
2m dx2
The general solution is
~2 k 2
ψ(x) = A cos(kx) + B sin(kx) , .E= (158)
2m
Imposing the boundary conditions gives A = 0 and the wave number k gets quantized
πn
kn = , n = 1, 2, 3, . . . (159)
a
The corresponding quantized energies are
~2 π 2 n2
En = . (160)
2ma2
Normalizing the wave functions by imposing
Z a
dx|ψ(x)|2 = 1 , (161)
0

we arrive at the following result for the energy eigenstates

r
2 πn
ψn (x) = sin x . (162)
a a
We note that the overall phase of the wave functions is arbitrary and we fix it to be equal to one. The lowest
energy state is called the ground state. The wave functions ψn (x) are either symmetric or antisymmetric

Figure 6: Wave functions for the 4 lowest energy states in the infinite square well potential.

under reflection around x = a/2.

5.3 Finite square well

Let us now consider a particle moving in the potential
(
0 if |x| < a
V (x) = (163)
V0 if |x| > a.

The TISE for the wave function ψ(x) reads

~2 d2
− ψ(x) = [E − V (x)]ψ(x) . (164)
2m dx2
Let us first consider the case E < V0 . In this case the solution of (164) is

A cos(kx) + B sin(kx) if |x| < a ,

ψ(x) = Ce−κx + C 0 eκx if x > a , (165)

 κx
De + D e 0 −κx if x < −a ,

28
where
~2 k 2 ~2 κ2
E= = V0 − . (166)
2m 2m
Now we impose

• Normalizability Z ∞
dx |ψ(x)|2 = 1 . (167)
−∞

This sets C 0 = D0 = 0, i.e. imposes that the wave function vanishes at x → ±∞.

• Continuity of ψ(x) at x = ±a, i.e. lim→0 ψ(±a − ) = lim→0 ψ(±a + )

A cos(ka) + B sin(ka) = Ce−κa ,

A cos(ka) − B sin(ka) = De−κa . (168)

• Continuity of ψ 0 (x) at x = ±a

Bk cos(ka) − Ak sin(ka) = −Cκe−κa ,

Bk cos(ka) + Ak sin(ka) = Dκe−κa . (169)

Equations (168)and (169) have two types of solutions

(i) B = 0, C = D and k tan(ka) = κ, corresponding to symmetric wave functions ψ(x) = ψ(−x).

(ii) A = 0, C = −D and k cot(ka) = −κ, corresponding to antisymmetric wave functions ψ(x) = −ψ(−x).

The (anti)symmetry of energy eigenstates is a result of a symmetry of the problem under reflection around
x = 0, i.e. x → −x. This symmetry is called parity. Symmetric solutions are said to be even under the
parity transformation (i.e. they map onto themselves), while antisymmetric solutions are odd under parity
(i.e. they map onto minus themselves). What remains to be done is to solve the remaining equations for
the wave numbers, e.g. r
2mV0
k tan(ka) = κ = − k2 . (170)
~2
We rewrite this slightly as r r
W2 2mV0 a2
tan(ka) = − 1 , W = . (171)
k 2 a2 ~2
This equation does not have simple solutions, but we can understand the structure of solutions by plotting
the two sides of the equation as functions of ka. This is done in Fig. 7. We see that for W = 10 there
are 4 solutions to the equation. For larger values of W there will be more solutions, but there will always
be at least one! We call these states bound states, because |ψ(x)|2 drops off very quickly away from the
square well, which means that the particle is most likely to be found inside the well. So in one dimension a
potential well will always have at least one bound state, no matter how small V0 is. Note however that the
probability of finding the particle outside the well is not zero (as it would be classically for energies E < V0 )!
Let us now turn to the case E > V0 . Now the solutions to the TISE look like

A cos(kx) + B sin(kx)
 if |x| < a ,
0
ψ(x) = C cos(Kx) + C sin(Kx) if x > a , (172)

 0
D cos(Kx) + D sin(Kx) if x < −a ,

~2 k 2 ~2 K 2
E= = − V0 . (173)
2m 2m
In this case the wave functions will not vanish at x → ±∞ and the spectrum of energies will be continuous.

29
Figure 7: Solutions of eqn (171) for W = 10.

5.4 Split infinite square well

Next we consider a potential of the form

V (x) = V0 δ(x) + VISW (x) ,

(
0 if 0 < |x| < a/2
VISW (x) = (174)
∞ else.

The TISE reads

~2 d2 ψ(x)
− + V (x)ψ(x) = Eψ(x) . (175)
2m dx2
If V0 = 0 we are dealing with an infinite square well, which is now symmetric around x = 0. The
odd-parity energy eigenstates can be read off from our previous solution
r
~2 π 2 (2n)2

2 2πn
ψ2n (x) = sin x , E2n = . (176)
a a 2ma2

As ψ2n (0) = 0 these wave functions also fulfil the TISE (175) in presence of the additional delta-function
potential!
Using that V (x) vanishes away from x = 0 we conclude that the even-parity eigenstates must have wave
functions of the form (
Aeikx + Be−ikx if 0 < x ≤ a/2 ,
ψ(x) = (177)
Ae−ikx + Beikx if − a/2 ≤ x < 0 .
The free parameters are fixed by noting that

• The wave functions must vanish at ±a/2 for finite energy eigenstates, i.e. ψ(±a/2) = 0. This gives

B = −Aeika . (178)

• The wave function must be continuous at x = 0. Our Ansatz fulfils this requirement.

• The derivative of the wave function at x = 0 is determined by integrating the TISE around x = 0
Z 2 00
~ ψ (x)
dx − + V0 δ(x)ψ(x) − Eψ(x) = 0 . (179)
− 2m

30
Using that the wave function is continuous at zero and taking the limit → 0 we obtain ψ 0 (0+ ) −
ψ 0 (0− ) = 2mV
~2
0
ψ(0), which in turn implies

mV0
ik(A − B) = (A + B) . (180)
~2
We see that the first derivative of the wave function is discontinuous at x = 0. This is a characteristic
feature of delta-function potentials. If we regularize the delta function, e.g. by
2
e−x /4
δ (x) = √ , (181)
4π
then the wave function and its derivative are continuous at x = 0. The discontinuity of the derivative
arises only in the limit → 0. Substituting (178) leaves us with a quantization condition for k
mV0
k cot(ka/2) = − . (182)
~2

The most interesting case is when V0 becomes very large. Then the right hand side of (182) is very large
and k must be close to one of the singularities of cot(ka/2)

2nπ 2nπ 2~2

k2n+1 ≈ − . (183)
a a maV0
For large V0 our wave functions are thus approximately given by
r
~2 π 2 (2n)2

2 2πn
ψ2n+1 (x) ≈ sin |x| , E2n+1 ≈ . (184)
a a 2ma2

The corrections to the wave functions and energies are proportional to 1/V0 . This implies that at large V0
there are pairs of eigenstates with almost degenerate energies but opposite parities. Let us now prepare our
system is the state corresponding to the wave function

ψ2n (x) − ψ2n+1 (x)

Ψ(x, 0) = √ . (185)
2
The probability density to find the particle at position x is

 4 sin2 2πn x if − a
≤x≤0
|Ψ(x, 0)|2 ≈ a a 2
(186)
0 else.


So to a very good approximation the particle is on the left hand side of the potential well. The time evolution
of the system is given by the time-dependent Schrödinger equation. Using our general result
X i
|ψ(t)i = hEn |ψ(0)ie− ~ En t |En i , (187)
n

and going over to the position representation we have

X i
hx|ψ(t)i = hEn |ψ(0)ie− ~ En t hx|En i . (188)
| {z } n
| {z }
Ψ(x,t) ψn (x)

For our particular choice of initial state this becomes

1 h i i
i
Ψ(x, t) = √ e− ~ E2n t ψ2n (x) − e− ~ E2n+1 t ψ2n+1 (x) . (189)
2

31
Consider now the probability density to find the particle at position x at time t∗ = π~/(E2n − E2n+1 ). This
is a late time as the splitting between the two energy levels is small. We have

4 2 2πn
|ψ2n (x) + ψ2n+1 (x)|2  sin a x if 0 ≤ x ≤ a2
|Ψ(x, t∗ )|2 = ≈ a (190)
2
0 else.


To a very good approximation the particle is now in the right hand side of the well! This is a purely quantum
mechanical effect, which we refer to as tunnelling through a potential barrier.

5.5 Scattering of free particles

Next we consider a potential step (
0 if |x| > a
V (x) = (191)
V0 if |x| < a.
The corresponding TISE
~2 d2 ψ(x)
− + [V (x) − E]ψ(x) = 0 (192)
2m dx2
is solved by considering the regions x < −a, |x| < a and x > a separately. For E < V0 energy eigenstates
are of the form 
ikx −ikx if x < −a
De + re

ψ(x) = Ae−κx + Beκx if |x| < a (193)

 ikx
te + Ce −ikx if x > a ,
where k and κ are related to the energy eigenvalue by
~2 k 2 ~2 κ2
E= = V0 − . (194)
2m 2m
We see that the wave functions do not vanish at ±∞ and are not normalizable to one. We now specify
solutions such that C = 0 and D = 1 as these have a nice physical interpretation. For C = 0 there is
no left-moving wave at x > a1 , and the wave functions can be interpreted as an incident plane wave with
amplitude 1 that gets partially reflected by the barrier (re−ikx ) and partially transmitted (teikx ).
The free parameters in (193) are fixed by the four requirements that the wave function and its first
derivative are continuous at x = ±a. This gives the following four equations for the four unknowns A, B, r,
and t

e−ika + reika = Aeκa + Be−κa ,

teika = Ae−κa + Beκa ,
ik[e−ika − reika ] = κ[−Aeκa + Be−κa ] ,
ikteika = κ[−Ae−κa + Beκa ]. (195)

After some algebra we find

2iκke−2ika
t = ,
(k 2 − κ2 ) sinh(2κa) + 2ikκ cosh(2κa)
e−2ika (κ2 + k 2 ) sinh(2κa)
r = . (196)
(k 2 − κ2 ) sinh(2κa) + 2ikκ cosh(2κa)
We note that
|r|2 + |t|2 = 1, (197)
1 ikx ~k2
e corresponds to a right-moving wave as can be seen by including the time dependence imposed by the TDSE: eikx−i 2m t .
The points of constant phase can be seen to move rightwards.

32
which corresponds to the conservation of probability in the scattering interpretation mentioned above. A
simple way of seeing that |r|2 + |t|2 = 1 is to consider the probability currents for x < −a and x > a. We
have
~k ~k 2
Jx<−a = [1 − |r|2 ] , Jx>a = |t| . (198)
m m
These must be equal by conservation of probability (consider the integral form (142) of the continuity
equation and take as the volume e.g. the interval [−2a, 2a]). The transmission probability is

4k 2 κ2
|t|2 = . (199)
4κ2 k 2 + (k 2 + κ2 )2 sinh2 (2κa)
Transmission includes the possibility that the incoming particle failed to interact with the potential barrier.
To isolate the possibility of scattering to occur we write the amplitude of the outgoing wave as t = 1 + T ,
where the 1 corresponds to the possibility of passing through undisturbed and T representing actual forward
scattering. The total scattering cross section is defined as the sum of the probabilities for forwards and
backwards scattering
σ = |T |2 + |r|2 = |1 − t|2 + |r|2 . (200)
This is a good point to elaborate a bit more on continuity conditions for the derivative of the wave function.
In our example the first derivative is continuous. Let us now however consider the limit a → 0, V0 → ∞
such that 2aV0 = Vδ is kept fixed. Let us denote this limit as limδ . In this limit our potential is like a
delta-function and hence no longer “nice” at x = 0. The derivative of the wave functions behaves as
mVδ /~2
ψ 0 (0− ) = ik limδ (1 − r) = ,
ik − mVδ /~2
ik
ψ 0 (0+ ) = ik limδ t = . (201)
ik − mVδ /~2
So in the limit the first derivative is no longer continuous. Its jump at x = 0 is
ik(2mVδ /~2 ) 2mVδ
ψ 0 (0+ ) − ψ 0 (0− ) = 2
= ψ(0). (202)
ik − mVδ /~ ~2

5.6 Resonant Scattering

Scattering experiments are widely used to probe the internal structure of atomic nuclei and “elementary”
particles. We will now consider a toy model that explains how the structure of the scattering cross section
reflects the existence of long-lived bound states inside the nucleus. To that end we consider particles moving
in a one dimensional potential of the form

V (x) = Vδ [δ(x + a) + δ(x − a)] . (203)

We aim to construct finite energy eigenstates of the form


ikx −ikx if x < −a
e + re

ψ(x) = Aeikx + Be−ikx if |x| < a (204)

 ikx
te if x > a.

The energy of such a solution is

~2 k 2
E(k) = . (205)
2m
Such solutions can be interpreted in terms of a right-moving wave with unit amplitude that scatters off the
potential and eventually generates a reflected left-moving wave at x < −a and a transmitted right-moving
wave at x > a. The wave functions (204) must fulfil the following conditions

33
• Continuity of the wave function at x = ±a. This gives

e−ika + reika = Ae−ika + Beika ,

teika = Aeika + Be−ika . (206)

These can be cast in matrix form

−ika
eika

e A ika r −ika 1
= e + e (207)
eika e−ika B t 0
| {z }
M1

• Jump discontinuity of the first derivatives at the positions of the delta-functions. These conditions are
again obtained by integrating the TISE over infinitesimal intervals around ±a, e.g.
Z a+
~2 d2 ψ(x)

dx − + Vδ δ(x − a)ψ(x) − Eψ(x) = 0 . (208)
a− 2m dx2

This gives two equations

2m
ψ 0 (a + 0) − ψ 0 (a − 0) = Vδ ψ(a) ,
~2
2m
ψ 0 (−a + 0) − ψ 0 (−a − 0) = Vδ ψ(−a) . (209)
~2
These two equations can be written in matrix form as

(v0 − ik)e−ika (v0 + ik)eika

A ika r −ika 1
= ike − ike , (210)
(v0 + ik)eika (v0 − ik)eika B t 0
| {z }
M2

where we have defined

2mVδ
v0 = . (211)
~2
Eliminating A and B we can extract a system of equations for only r and t

−1 1 0 r −2ika k csc(2ka)
M2 M1 − ik =e . (212)
0 1 t −ik − v0 − k cot(2ka)

The solution of this system is

4k 2
t = ,
(2k + iv0 )2 + e4ika v02
v0 [e−2ika (v0 − 2ik) − e2ika (v0 + 2ik)]
r = . (213)
(2k + iv0 )2 + e4ika v02

The total scattering cross section is defined as

4k 2 −4k 2 − v02 cos(4ka) + v02

2 2
σ = |t − 1| + |r| = 2 + 4 . (214)
8k + 4k 2 v02 − v02 v02 − 4k 2 cos(4ka) + 4kv03 sin(4ka) + v04

We see that at certain values of k (and hence at particular energies) the cross section is strongly enhanced.
To understand the origin of this phenomenon it is useful to consider the limit of an impenetrable delta-
function potential Vδ → ∞. In this case we have v0 a 1 and the “resonances” occur at
πn
kn a ≈ , n = 1, 2, 3 . . . (215)
2

34
Figure 8: Left: Total scattering cross section σ as a function of ka for v0 a = 10. Right: Total scattering
cross section σ as a function of energy E for v0 a = 10 (E0 = ~2 /(2ma2 )).

These correspond to energies

~2 kn2 ~2 π 2 n2
En = = . (216)
2m 8ma2
For very large values of Vδ we basically have a infinite square well (as the wave functions must vanish at
±a). We already know that in the latter stationary states occur at energies, cf. (160)

~2 (πn)2 ~2 (πn)2
EnISW = = , (217)
2m(2a)2 8ma2

where we have taken into account that the width of the well is 2a. These are exactly the energies at which
the total cross section has spikes! The interpretation is now clear: for special energies the cross section is
large because the particle can get temporarily trapped between the barriers, until after some time it escapes
to the left or the right. We say that there is a long-lived bound state between the barriers at that energy.
So the structure of the total cross section tells us about the energy levels of such long-lived bound states.
Long-lived bound states are related to certain types of radioactive decay.
In the case where the peaks in the cross section are very narrow, it follows from our explicit expression
for σ that they are approximately of the form

2(Γ/2)2
σ(E ≈ ER ) ≈ const + , (218)
(Γ/2)2 + (E − ER )2

where ER is the energy at which the peak is centred. The form (218) is called Breit-Wigner cross section
and is used widely to fit experimental data. It can be shown that the parameter Γ is inversely related to
the time it takes for the particle to escape from inside the well.

35
Eugene Wigner (Nobel Prize in Physics 1963).
“Where in the Schrödinger equation do you put the joy of
being alive?”

Wigner is also known for not being given tenure at Prince-

ton University in the 1930ies.

Homework 5: Wave Mechanics

2.7 Particles move in the potential
(
0 for x < 0
V (x) = .
V0 for x > 0
Particles of mass m and energy E > V0 are incident from x = −∞. Show that the probability that a
particle is reflected is
k−K 2

,
k+K
√ p
where k ≡ 2mE/~ and K ≡ 2m(E − V0 )/~. Show directly from the time-independent Schrödinger
equation that the probability of transmission is
4kK
(k + K)2
and check that the flux of particles moving away from the origin is equal to the incident particle flux.

2.8 Show that the energies of bound, odd-parity stationary states of the square potential well
(
0 for |x| < a
V (x) = ,
V0 > 0 otherwise
are governed by
s r
W2 2mV0 a2
cot(ka) = − −1 where W ≡ and k 2 = 2mE/~2 .
(ka)2 ~2
Show that for a bound odd-parity state to exist, we require W > π/2.

2.9 A free particle of energy E approaches a square, one-dimensional potential well of depth V0 and
width 2a. Show that the probability of being reflected by the well vanishes when Ka = nπ/2, where
n is an integer and K = (2m(E + V0 )/~2 )1/2 . Explain this phenomenon in physical terms.

2.10 A particle of energy E approaches from x < 0 a barrier in which the potential energy is
V (x) = Vδ δ(x). Show that the probability of its passing the barrier is
r
1 2mE 2mVδ
Ptun = 2
where k = 2
, K= .
1 + (K/2k) ~ ~2

36
2.11 Given that the wavefunction is ψ = Aei(kz−ωt) + Be−i(kz+ωt) , where A and B are constants, show
that the probability current density is

J = v |A|2 − |B|2 ẑ,

where v = ~k/m. Interpret the result physically.

2.12 Consider a free particle in one dimension with Hamiltonian

p̂2
H= . (219)
2m
Let the wave function of the particle at time t = 0 be a Gaussian wave packet
1 x2 i
ψ(x, 0) = hx|ψ(0)i = 1 e− 4σ2 + ~ p0 x . (220)
(2πσ 2 ) 4

Show that in the momentum representation we have

14
2σ 2
Z
σ2 2
hp|ψ(0)i = dx hp|xihx|ψ(0)i = e− ~2 (p−p0 ) . (221)
π~2

Comment on the relation between the forms of the state in the position and momentum representations
as a function of σ. By solving the TDSE show that the probability distribution function at time t
can be written in the form
σ σ2
− (x−p0 t/m)2
|ψ(x, t)|2 = p e 2~2 |b(t)|2 , (222)
2π~2 |b(t)|2

and derive the form of the function b(t). Explain what happens physically to the particle as time
evolves.

6 Harmonic Oscillators
The career of a young theoretical physicist consists of treating the harmonic oscillator in ever-increasing
levels of abstraction. Sidney Coleman.
Harmonic oscillations are ubiquitous in Physics as they describe small excursions from points of equilib-
rium. QM harmonic oscillators are extremely important as they are the basic building blocks of relativistic
Quantum Field Theories and the quantum theory of many-particle systems that describe solids.
The Hamiltonian for a one dimensional harmonic oscillator is
p̂2 1
H= + mω 2 x̂2 . (223)
2m 2
The corresponding TISE in the position representation reads

~2 d2 ψ(x) mω 2 2
− + x ψ(x) = Eψ(x). (224)
2m dx2 2
One way of approaching the QM harmonic oscillator is to solve this differential equation by the Frobenius
method. Here we will follow a different approach and employ operator methods. We start by introducing

37
so called creation and annihilation operators by
r
mω i
a = x̂ + √ p̂ ,
2~ 2mω~
r
mω i
a† = x̂ − √ p̂ . (225)
2~ 2mω~
Here a† is the Hermitian conjugate operator to a. Creation/annihilation operators fulfil the following
commutation relations
i i
[a, a† ] = − [x̂, p̂] + [p̂, x̂] = 1.
2~ 2~ (226)
The utility of these operators is that the Hamiltonian can be expressed in a simple way in terms of them.
We have
mω 2 1 i
a† a = x̂ + p̂2 − [p̂, x̂] , (227)
2~ 2m~ω 2~
which tells us that

† 1
H = ~ω a a + .
2
(228)
Here
N̂ = a† a (229)
is referred to as the number operator. In order to proceed we will require the commutation relations of the
creation/annihilation operators with the Hamiltonian (or equivalently the number operator)

[a, N̂ ] = a , [a† , N̂ ] = −a† . (230)

These are established as follows

[a, N̂ ] = aa† a − a† aa = [a, a† ]a = a . (231)

Now assume that we know an eigenstate |Ei of H

H|Ei = E|Ei. (232)

That’s a bingo: a† |Ei is an eigenstate with energy E + ~ω. Similarly we have

Ha|Ei = ([H, a] + aH) |Ei = (−~ωa + aE) |Ei = (E − ~ω) a|Ei. (234)

Ha|0i = (E0 − ~ω)a|0i, (237)

38
so either a|0i is an eigenstate with energy E0 − ~ω or a|0i = 0. The former is impossible because E0 is by
construction to lowest energy eigenvalue, so we must have

a|0i = 0. (238)

This is turn tell us that the ground state energy is

~ω ~ω
H|0i = |0i ⇒ E0 = . (239)
2 2
This is the first interesting result: the ground state energy of the QM harmonic oscillator is not zero, but
E0 = ~ω2 . This is called the zero-point energy. Using (233) repeatedly we can construct eigenstates of the
form
1 † n
|ni = (a ) |0i , (240)
Nn
where Nn is a normalization constant. The energy of the states (240) is En = E0 + n~ω as each a† adds an
energy ~ω by virtue of (233), i.e.

1
En = ~ω n + .
2
(241)
We now observe that

[a, (a† )n ] = a(a† )n − (a† )n a = [a, a† ](a† )n−1 + a† [a, a† ](a† )n−2 + (a† )2 [a, a† ](a† )n−3 + . . .
= n(a† )n−1 , (242)

which implies that

a|ni = αn |n − 1i . (243)
The constant αn is most easily calculated by considering

hn|a† a|ni = |αn |2

= hn|N̂ |ni = n. (244)

Using that we can choose our normalization constants to be real we thus have
√
a|ni = n|n − 1i.
(245)

The analogous relation for the creation operator is

√
a† |ni = n + 1|n + 1i.
(246)

It is established by noting that

a† |ni = βn |n + 1i (247)
and then calculating
hn|aa† |ni = |βn |2 = hn|N̂ + [a, a† ]|ni = n = 1. (248)
Using (246) repeatedly we have √
(a† )n |0i = n!|ni , (249)
which gives the normalization constant
√
Nn = n!.
(250)
Nice.

39
6.1 Ground state of the Quantum Harmonic Oscillator
We now turn to a more detailed analysis of the ground state and its properties. Our starting point is the
fact the |0i is annihilated by a
r
mω i
a|0i = 0 = x̂ + √ p̂ |0i. (251)
2~ 2mω~
In the position representation this becomes
r
mω i
0 = hx|a|0i = hx| x̂ + √ p̂ |0i
2~ 2mω~
Z r
mω i
= dx0 hx| x+ √ p̂ |x0 ihx0 |0i
2~ 2mω~
r Z Z
mω 0 0 0 i
= dx hx|x̂|x i hx |0i + √ dx0 hx|p̂|x0 i hx0 |0i
2~ | {z } 2mω~ | {z }
xδ(x−x0 ) d
−i~ dx δ(x−x0 )
r
mω ~ d
= x+ √ hx|0i . (252)
2~ 2mω~ dx | {z }
ψ0 (x)

This is a first order differential equation for the ground state wave function ψ0 (x). Its normalized solution
is
r
2
1 − x2 ~
ψ0 (x) = 1 e
4` , `= .
(2π`2 ) 4 2mω
(253)
We see that the ground state wave function is a Gaussian centred around zero. Its energy E0 = ~ω 2 is larger
than zero, in contrast to the lowest energy configuration of a classical harmonic oscillator. The existence
of a zero-point energy is a direct consequence of the Heisenberg uncertainty relation. In order to have zero
energy our quantum mechanical particle would need to have neither potential energy, i.e. be localized at
x = 0, nor kinetic energy, i.e. have zero momentum. These two requirements cannot be met simultaneously
because of the uncertainty relation.
We now turn to the calculation of ground state expectation values. We have
r
~
h0|x̂|0i = h0|a + a† |0i = 0 ,
2mω
r
m~ω
h0|p̂|0i = −i h0|a − a† |0i = 0 , (254)
2

where we have used that a|0i = 0 = h0|a† . This means that on average the particle in the ground state of
our harmonic oscillator is located at x = 0 and has zero momentum. The variances are
~ ~ ~ ~
h0|x̂2 |0i = h0|(a + a† )2 |0i = h0|aa† |0i = h0|[a, a† ]|0i = ,
2mω 2mω 2mω 2mω
m~ω m~ω m~ω
h0|p̂2 |0i = − h0|(a − a† )2 |0i = h0|aa† |0i = . (255)
2 2 2
Putting everything together we have
~
∆x∆p = .
2 (256)
This means that the ground state of the harmonic oscillator saturates the Heisenberg uncertainty relation,
i.e. it is a state of minimal uncertainty.

40
6.2 Excited states of the Quantum Harmonic Oscillator
We now turn to the wave functions for excited states. For the first excited state we have
r
† mω i
ψ1 (x) = hx|1i = hx|a |0i = hx| x̂ − √ p̂ |0i
2~ 2mω~

x d
= −` hx|0i
2` dx
1 x − x22
= 1 e 4` . (257)
(2π`2 ) 4 `

For the higher excited states we have the following recurrence relation
1
ψn (x) = hx|ni = √ hx|a† |n − 1i
n

1 x d
= √ −` hx|n − 1i . (258)
n 2` dx | {z }
ψn−1 (x)

Using this repeatedly we have

d n

1 x 1
ψn (x) = √ −` ψ0 (x) ≡ √ fn (x)ψ0 (x) , (259)
n! 2` dx n!
where fn (x) is some polynomial in x. Substituting (259) into (258) we obtain a recurrence relation for fn (x)
x 0
fn (x) = fn−1 (x) − `fn−1 (x) , f0 (x) = 1 . (260)
`
Comparing this with the recurrence relation of the so-called Hermite polynomials Hn (z)
0
Hn (z) = 2zHn−1 (z) − Hn−1 (z) , H0 (z) = 1 , (261)

we conclude that
1 x
fn (x) = Hn √ . (262)
2n/2 2`
This gives our final result

1 x
ψn (x) = √ Hn √ ψ0 (x).
n!2n 2`
(263)
The first few Hermite polynomials are

H0 (z) = 1 , H1 (z) = 2z , H2 (z) = 4z 2 − 2 , H3 (z) = 8z 3 − 12z. (264)

From the properties of the Hermite polynomials it follows that

• ψ2n (x) are even under parity x → −x, i.e. ψ2n (−x) = ψ2n (x).

• ψ2n+1 (x) are odd under parity x → −x, i.e. ψ2n+1 (−x) = −ψ2n+1 (x).

• ψn (x) has n-1 nodes.

Expectation values in excited states of the harmonic oscillator can be calculated from the following

hn|a|ni = 0 , hn|a† |ni = 0 ,

hn|a† a|ni = n , hn|aa† |ni = n + 1 , hn|(a† )2 |ni = 0 = hn|a2 |ni. (265)

41
Using these we can easily show that

hn|x̂|ni = 0 = hn|p̂|ni ,
~ 1 1
hn|x̂2 |ni = n+ , hn|p̂2 |ni = ~mω n + (266)
mω 2 2
The product of uncertainties is thus
1
∆x ∆p = ~ n + . (267)
2
This tells us that only the ground state is a state of minimal uncertainty, and the uncertainties are larger
in highly excited states.

6.3 What oscillates in the quantum harmonic oscillator?

Let us now consider a harmonic oscillator initially prepared in a state |ψ(0)i
∞
X
|ψ(0)i = hn|ψ(0)i |ni . (268)
| {z }
n=0 an

The TDSE tells us that at time t the state of the system will be
∞
X 1
|ψ(t)i = an e−iωt(n+ 2 ) |ni . (269)
n=0

The average position of our particle as a function of time is then given by the expectation value
∞
X
hψ(t)|x̂|ψ(t)i = a∗m an eiωt(m−n) hm|x̂|ni . (270)
n,m=0

Matrix elements of the position operator are readily worked out using (245), (246) and x̂ = `[a + a† ]
√ √
hm|x̂|ni = ` nδm,n−1 + n + 1δm,n+1 . (271)

Substituting (271) into (270) we have

∞
X √
n an a∗n−1 e−iωt + an−1 a∗n eiωt

hψ(t)|x̂|ψ(t)i = `
n=1
∞
X
= bn cos(ωt + an ) , (272)
n=1
√
where 2 n`a∗n an−1 = bn exp(iφn ). Eqn (272) proves that if we prepare the harmonic oscillator in a generic
initial state |ψ(0)i the expectation value of position oscillates with frequency ω. This is reassuring.

6.4 Quantum vs classical harmonic oscillator

The solution of the equations of motion for the classical harmonic oscillator is

mω 2 2
x(t) = x0 sin(ωt) , E= x . (273)
2 0
Defining the probability density of finding the classical harmonic oscillator at position x by
dt 2π
Pcl (x)dx = 2 , T = , (274)
T ω

42
Figure 9: Probability distribution in a stationary state of the harmonic oscillator with n = 100.

we have
1 1
Pcl (x) = p 2 = q (275)
π x0 − x2 E
2π` ~ω − x2
4`2

In Fig. 9 we compare Pcl (x) to the probability distribution of a quantum harmonic oscillator at the same
energy E100 = 100.5~ω. We observe that the quantum mechanical probability is a strongly oscillatory func-
√
tion with oscillations occurring on a length scale ∼ `/ n. Averaging the quantum mechanical probability
distribution over a very small range approaches the classical probability distribution in the large-n limit.
Aside 4: Coherent States
There are other states in the harmonic oscillator problem that are of great interest. Consider the
eigenvalue equation for the annihilation operator

a|αi = α|αi. (276)

These are called coherent states for reasons that will become clear shortly. Recalling that
x̂ i`
a= + p̂ , (277)
2` ~
we can turn (276) into a differential equation by going to the position representation

This is solved by
αn
hn|αi = √ h0|αi. (281)
n!

43
This provides us with the desired expansion in terms of energy eigenstates
∞
X αn
|αi = √ h0|αi |ni. (282)
n=0 n!

We note that coherent states are particular superpositions involving all energy eigenstates. We have
Z ∞
α2
h0|αi = dx Φα (x)Ψ∗0 (x) = e− 2 . (283)
−∞

Here comes the joke: the probability density |Φα (x, t)|2 of a coherent state looks like a Gaussian
wave-packet that oscillates with frequency ω while precisely retaining its shape!

Aside 5: Solving the Schrödinger equation numerically

Most Schrödinger equations cannot be solved exactly in the way we have done in our various examples.
Therefore one typically resorts to numerical solutions. To be specific, let’s consider the following
example
p̂2 1
H= + mω 2 x̂2 + λx̂4 ≡ H0 + λx̂4 , λ > 0. (287)
2m 2
Let’s say that we are interested in determining the ground state wave function of this Hamiltonian.
One way of doing this is to use our knowledge of the eigenstates of the harmonic oscillator part H0
1
H0 |ni = ~ω(n + )|ni. (288)
2
Using that these states form an orthonormal basis of the space of quantum states we have
∞
X
1= |nihn|, (289)
n=0

and therefore X
H = 1H1 = hm|H|ni |mihn|. (290)
n,m

44
The eigenstates |ψn i of H can also be expressed in this basis
X
|ψn i = hm|ψn i |mi. (291)
m

The matrix elements of the Hamiltonian in this basis are

1
hm|H|ni = ~ω(n + )δn,m + λhm|x̂4 |ni. (292)
2
The matrix elements of the position operator can be determined either numerically by working out
the integrals Z ∞ h i∗
4 (0)
hm|x̂ |ni = dx ψm (x) x4 ψn(0) (x), (293)
−∞
(0)
where ψn (x) are the harmonic oscillator wave functions, or by using our creation/annihilation oper-
ator algebra

hm|x̂4 |ni = `4 hm|(a + a† )4 |ni

hp p
= `4 n(n − 1)(n − 2)(n − 3)δm,n−4 + (4n − 2) n(n − 1)δm,n−2
p
+(6n2 + 6n + 3)δm,n + (n + 1)(n + 2)(4n + 6)δm,n+2
p i
+ (n + 1)(n + 2)(n + 3)(n + 4)δm,n+4 ≡ `4 Vmn . (294)

The idea is now to truncate the sums in (290) by introducing a cutoff N . This turns H into an
(N + 1) × (N + 1) matrix
 
 1 λ`4 
Hnm = ~ω (n + )δ n,m + V nm
, n, m = 0, . . . , N. (295)
 2 ~ω
|{z}

µ

We now simply diagonalize the (dimensionless) matrix H/(~ω) numerically and obtain approximate
values for the energies and eigenstates of H. We increase the cutoff N until the ground state energy
and wave function no longer change within our desired numerical accuracy. For example, taking
µ = 0.1 and N = 10 gives

E0 ≈ 0.668812~ω ,
|ψ0 i ≈ −0.986914|0i + 0.160316|2i − 0.0133936|4i − 0.0086538|6i + 0.0064238|8i − 0.00223485|10i.
(296)

Increasing the cutoff to N = 20 gives

E0 ≈ 0.668773~ω ,
|ψ0 i ≈ −0.986896|0i + 0.160386|2i − 0.0134396|4i − 0.00875891|6i + 0.00682899|8i
−0.00299289|10i + 0.000832743|12i − 0.0000103442|14i − 0.000169943|16i
+0.000129011|18i − 0.0000507885|20i (297)

You get the idea. In general we choose an appropriate basis of states in which to express our Hamil-
tonian of interest and carry out the analogous procedure.

45
Homework 6: The simple harmonic oscillator
3.1 After choosing units in which everything, including ~ = 1, the Hamiltonian of a harmonic oscillator
may be written Ĥ = 21 (p̂2 + x̂2 ), where [x̂, p̂] = i. Show that if |ψi is a ket that satisfies H|ψi = E|ψi,
then
1 2
(p̂ + x̂2 )(x̂ ∓ ip̂)|ψi = (E ± 1)(x̂ ∓ ip̂)|ψi.
2
Explain how this algebra enables one to determine the energy eigenvalues of a harmonic oscillator.

3.2 Given that â|ni = α|n − 1i and En = (n + 21 )~ω, where the annihilation operator of the harmonic
oscillator is
mωx̂ + ip̂
â ≡ √ ,
2m~ω
√
show that α = n. Hint: consider |â|ni|2 .

3.3 The pendulum of a grandfather clock has a period of 1 s and makes excursions of 3 cm either
side of dead centre. Given that the bob weighs 0.2 kg, around what value of n would you expect its
non-negligible quantum amplitudes to cluster?

3.4 Show that the minimum value of E(p, x) ≡ p2 /2m + 12 mω 2 x2 with respect to the real numbers
p, x when they are constrained to satisfy xp = 21 ~, is 12 ~ω. Explain the physical significance of this
result.

3.5 How many nodes are there in the wavefunction hx|ni of the nth excited state of a harmonic
oscillator?

3.6 Show that for a harmonic oscillator that wavefunction of the second excited state is
2 2 −x 2 /4`2 p
hx|2i = constant × (x /` − 1)e , where ` ≡ ~/2mω and find the normalising con-
stant.

3.7 Use r
~
x̂ = (â + â† ) = `(â + â† )
2mω
to show for a harmonic oscillator that in the energy representation the operator x̂ is
√
0 1 0 0 ...
 
√ √
 1 0 2 0
√ √

 
 0 2 0 3 ···
√

 

 3 ... 

. . . . . . . . . . . .
√

x̂jk = ` 
 
. . . √ 0 n − 1 . . . 
 √ 
 n−1 0 n √

 √ 

 n √ 0 n + 1 · · · 

 n+1 0 
··· ··· ··· ··· ···

Calculate the same entries for the matrix p̂jk .

3.8 At t = 0 the state of a harmonic oscillator of mass m and frequency ω is

1 1 1
|ψi = |N − 1i + √ |N i + |N + 1i.
2 2 2

46
Calculate the expectation value of x as a function of time and interpret your result physically in as
much detail as you can.

Homework 7: More problems on basic quantum mechanics

3.9 A three-state system has a complete orthonormal set of states |1i, |2i, |3i. With respect to this
basis the operators Ĥ and B̂ have matrices
   
1 0 0 1 0 0
Ĥ = ~ω 0 −1 0  B̂ = b 0 0 1 ,
0 0 −1 0 1 0

where ω and b are real constants.

(a) Are Ĥ and B̂ Hermitian?
(b) Write down the eigenvalues of Ĥ and find the eigenvalues of B̂. Solve for the eigenvectors of both
Ĥ and B̂. Explain why neither matrix uniquely specifies its eigenvectors.
(c) Show that Ĥ and B̂ commute. Give a basis of eigenvectors common to Ĥ and B̂.

3.10 A system has a time-independent Hamiltonian that has spectrum {En }. Prove that the
probability Pk that a measurement of energy will yield the value Ek is is time-independent. Hint:
you can do this either from Ehrenfest’s theorem, or by differentiating hEk , t|ψi w.r.t. t and using the
TDSE.

3.11 Let ψ(x) be a properly normalised wavefunction and Q̂ an operator on wavefunctions. Let {qr }
be the spectrum of Q̂ and {ur (x)} be the corresponding correctly normalised eigenfunctions. Write
down an expression for the probability that a measurement of Q will
R ∞ yield the value qr . Show that
∗ Q̂ψ dx.
P
r P (q r |ψ) = 1. Show further that the expectation of Q is hQi ≡ −∞ ψ

3.12 (a) Find the allowed energy values En and the associated normalized eigenfunctions φn (x) for a
particle of mass m confined by infinitely high potential barriers to the region 0 ≤ x ≤ a.
(b) For a particle with energy En = ~2 n2 π 2 /2ma2 calculate hxi.
(c) Without working out any integrals, show that

a2
h(x − hxi)2 i = hx2 i − .
4
Ra
Hence find h(x − hxi)2 i using the result that 0 x2 sin2 (nπx/a) dx = a3 (1/6 − 1/4n2 π 2 ).
(d) A classical analogue of this problem is that of a particle bouncing back and forth between two
perfectly elastic walls, with uniform velocity between bounces. Calculate the classical average values
hxic and h(x − hxi)2 ic , and show that for high values of n the quantum and classical results tend to
each other.

3.13 A Fermi oscillator has Hamiltonian Ĥ = fˆ† fˆ, where fˆ is an operator that satisfies

fˆ2 = 0, fˆfˆ† + fˆ† fˆ = 1.

Show that Ĥ 2 = Ĥ, and thus find the eigenvalues of Ĥ. If the ket |0i satisfies Ĥ|0i = 0 with h0|0i = 1,
what are the kets (a) |ai ≡ fˆ|0i, and (b) |bi ≡ fˆ† |0i?
In quantum field theory the vacuum is pictured as an assembly of oscillators, one for each possible
value of the momentum of each particle type. A boson is an excitation of a harmonic oscillator, while
a fermion in an excitation of a Fermi oscillator. Explain the connection between the spectrum of

47
fˆ† fˆ and the Pauli exclusion principle (which states that zero or one fermion may occupy a particular
quantum state).
Some optional (!) off-syllabus stuff you may find interesting
3.14 Numerical solutions of the Schrödinger equation By following the discussion given in the
lecture notes construct numerical solutions for the first 10 eigenstates |φn i of the Hamiltonian

p̂2 1
H= + mω 2 x̂2 + λx̂4 .
2m 2
4
for λ`
~ω = 0.1. You can download a Mathematica file for doing this from the course webpage.
Now use the eigenvectors to obtain an expression for the ground state of the harmonic oscillator
Hamiltonian (λ = 0) in terms of the eigenstates of H
N
X
|0i ≈ hφn |0i |φn i.
n=0

In the last step we have cut off the sum over k in the resolution of the identity, which is justified
because hk|φn ihφn |0i are negligible for large k. We have explicit expression for the harmonic oscillator
wave functions and know hk|φn i and En from our numerics. We therefore can plot P (x, t) = |hx|Φ(t)i|2
for any given time. In order to keep our discussion very general we note that we essentially have two
dimensionful quantities in our problem

• A time scale 1/ω.

• A length scale `.

We use these scales to introduce dimensionless variables parametrizing the time and position by x =
z`, t = τ /ω. The probability to observe our particle in the interval [x, x + dx] is P (x, t)dx = p(z, τ )dz,
where
p(z, τ ) = |hz`|Φ(τ /ω)i|2 `.
The nice thing is that p(z, τ ) no longer contains any dimensionful quantities
2 /4 N X
N √ 2
e−z X
−i(En /~ω)τ Hk (z/ 2)
p(z, τ ) ≈ 1 hφn |0i hk|φn i e √ . (300)
(2π) 4 k=0 n=0 k!2k

Plot p(x, τ ) as a function of z for some values of τ .

48
Part III
Transformations

Hermann Weyl
“The goal of mathematics is the symbolic comprehension of
the infinite with human, that is finite, means.”

7 Transformations and Symmetries

A very important concept in QM is that of a transformation. Our QM system is described by a ket |ψi. We
now want to ask the question how |ψi changes if we move our quantum mechanical system by a distance
a, or rotate it by some angle around some axis. Of particular interest are transformations that leave our
system unchanged – these correspond to symmetries, which have been one of the most important organizing
principles of physics in the last century.
Aside 6: Active vs Passive Transformations
As our lectures follow the book by Binney and Skinner we will focus on transformations where
we change our QM system by e.g. moving it. These are call active transformations. There is an
equivalent viewpoint in which we leave our system unchanged, but transform our co-ordinate system.
Such transformations are called passive. The two kinds of transformations are related in a simple way.
For example, translating our system by a vector a is equivalent to moving our co-ordinate system by
−a.

7.1 Translations
If we move a quantum mechanical system in some state |ψi by a distance a we expect that the ket describing
it will change to some new ket |ψ 0 i. It turns out that we can obtain |ψ 0 i by acting with the translation
operator U (a)
|ψ 0 i = U (a)|ψi . (301)
To see this, let us consider a basis of position eigenstates |xi. On physical grounds these must transform
under a translation as
|xi −→ |x + ai. (302)
The transformed ket can be written in terms of momentum eigenstates as

49
This tells us that we have
i
|x + ai = U (a)|xi , U (a) = e− ~ a·p̂ .
(304)
As the three momentum operators commute we have

U (a)U † (a) = 1
, (305)

so U (a) is a unitary operator. By the same reasoning we have

U (a)U (b) = U (a + b) , U † (a) = U (−a), (306)

so translations form a group. Finally, because momentum eigenstates form a basis we can conclude that a
general state |ψi transforms under a translation as

|ψ 0 i = U (a)|ψi. (307)

Indeed, expanding |ψi in position eigenstates, we have

Z Z Z
|ψi = d3 xhx|ψi |xi −→ |ψ 0 i = d3 xhx|ψi |x + ai = U (a) d3 xhx|ψi |xi = U (a)|ψi. (308)

7.1.1 Expectation values

The expectation value of the three position operators in the translated state are
Z Z
0 0
hψ |x̂|ψ i = d x hψ |x̂|x ihx |ψ i = d3 x0 x0 |ψ 0 (x0 )|2
3 0 0 0 0 0

Z Z
3 0 0 0
= d x x |ψ(x − a)| = d3 x (x + a) |ψ(x)|2
2

= hψ|x̂ + a|ψi = hψ|x̂|ψi + a. (309)

This result is as expected: the average position has been shifted by a by our transformation. Using that
|ψ 0 i = U (a)|ψi and that in the above |ψi is arbitrary we conclude that

U † (a)x̂U (a) = x̂ + a.
(310)

To arrive at this conclusion we have used the following

Theorem 3 Let A and B be two operators. If for any state |ψi

hψ|A|ψi = hψ|B|ψi, (311)

then A = B.

Proof: Take |ψi = |χ1 i + c|χ2 i. Then by the assumption that the expectation values in |ψi are equal we
have
0 = hχ1 |A − B|χ1 i + |c|2 hχ2 |A − B|χ2 i + chχ1 |A − B|χ2 i + c∗ hχ2 |A − B|χ1 i. (312)
Using that the expectation values of A and B in |χ1 i and |χ2 i are equal this simplifies to

0 = chχ1 |A − B|χ2 i + c∗ hχ2 |A − B|χ1 i. (313)

Considering this equation for c = 1 and c = i we conclude that we must have

hχ1 |A − B|χ2 i = 0. (314)

50
As |χ1,2 i are arbitrary this implies that A = B.
As U (a) only involves the momentum operators (which commute with one another) we conclude that
[U (a), p] = 0 or equivalently
U † (a)p̂U (a) = p̂.
(315)
Hence expectation values of the momentum operator do not change under translations

hψ 0 |p̂|ψ 0 i = hψ|p̂|ψi. (316)

7.1.2 Wave functions

We can now ask how wave functions change under translations. This gives us information not only about the
average position but about the entire probability distribution. The original and translated wave functions
are
ψ(x) = hx|ψi , ψ 0 (x) = hx|ψ 0 i. (317)
They are related by
ψ 0 (x) = hx|U (a)|ψi = hx − a|ψi = ψ(x − a). (318)
Here we have used that U † (a) = U (−a) and

hx|U (a)|ψi = hψ|U † (a)|xi∗ = hψ|x − ai∗ = hx − a|ψi. (319)

An equivalent way of expressing the relation between wave functions is

ψ 0 (x + a) = ψ(x).
(320)

This makes perfect sense: the value of the new wave function at the new position equals the value of the
original wave function at the original position. The probability densities are related by

|ψ(x − a)|2 = |ψ 0 (x)|2 , (321)

expressing the fact that the probability of finding the translated system at position x is the same as finding
the original system at position x − a.

7.1.3 Translational Invariance and momentum as a “good quantum number”

As we have seen the Hamiltonian plays a special role in Quantum Mechanics because it determines the time
evolution of quantum states. Because of this its behaviour under translations is particularly important. Let
H be the Hamiltonian of our system. We call our system translationally invariant if there exists a basis of
energy eigenstates |En i such that for any state |ψi

|hEn |ψi|2 = |hEn |U (a)|ψi|2 . (322)

This condition is equivalent to energy measurements being unaffected by translations. Eqn (322) implies
that the states |En i are eigenstates of U (a), which in turn implies that U (a) and H commute

HU (a) = U (a)H. (323)

The condition of translational invariance can thus be cast in the form

U † (a)HU (a) = H.
(324)

In the above discussion the vector a has been arbitrary – our transformation depends on a continuous
parameter a and (324) expresses the fact that H possesses a continuous symmetry.

51
Taking it infinitesimally small we have
i
U (dx) = 1 − dx · p (325)
~
This allows us to recast translational invariance as the requirement that the Hamiltonian commutes with
the momentum operators
[H, p] = 0. (326)
This then implies that momentum and energy are compatible observables and there exists a simultaneous
basis of eigenstates. This in turn means that we can use the momentum eigenvalues to label the energy
eigenstates. We say that momentum is a good quantum number.
Let us look at a simple example of all this: a free particle in three spatial dimensions with Hamiltonian

p̂2 p̂2 p̂2y p̂2

H= = x + + z . (327)
2m 2m 2m 2m
Clearly this is translationally invariant

[p̂a , H] = 0 , a = x, y, z. (328)

Momentum is therefore a good quantum number and there is a basis of simultaneous eigenstates of energy
and momentum, namely that of momentum eigenstates
p2x + p2y + p2z
H|px , py , pz i = |px , py , pz i. (329)
| 2m
{z }
E(px ,py ,pz )

This principle generalizes: if we have a set of Hermitian operators I (n) (n = 1, . . . , N ) such that

[I (n) , I (m) ] = 0 = [I (n) , H] , 1 ≤ n, m ≤ N, (330)

there exists a basis of simultaneous eigenstates |λi = |λ(1) , . . . , λ(N ) i of all these operators

I (n) |λi = λ(n) |λi. (331)

We can use the eigenvalues λ(j) to label these states. The energy eigenvalue is some (problem-dependent)
function of these eigenvalues
H|λi = E(λ)|λi. (332)

7.2 Reflections (Parity)

Parity plays a very important role in Quantum Field The-
ory and the Standard Model of Particle Physics.

C.N. Yang and T.D. Lee (Nobel Prize in Physics 1957)

C.S. Wu (Wolf Prize in Physics 1978)

A very important transformation is spatial reflection or parity. It acts on position eigenstates as

P̂ |xi = | − xi. (333)

So if the system was originally at position x with certainty, it will be at position −x after the parity
transformation. The parity operator is Hermitian P̂ = P̂ † because

hx0 |P̂ |xi = hx0 | − xi = δ (3) (x0 + x) = hx|P̂ |x0 i∗ . (334)

52
If we carry out the parity transformation twice we return to where we started. Therefore

P̂ 2 = 1 , (335)

which together with P̂ = P̂ † implies that P̂ is a unitary operator. Using (333) and
Z
x̂ = d3 x x |xihx|, (336)

we can work out how the parity operator acts on the position operator

P̂ x̂P̂ = −x̂.
(337)

ψ 0 (x) = hx|ψ 0 i = hx|P̂ |ψi = h−x|ψi = ψ(−x). (340)

By following through the same considerations as for translations we term a quantum system parity invariant
if
[H, P̂ ] = 0. (341)
Parity is an example of a discrete symmetry in QM – if we repeat the transformation twice we return
to where we started. In parity invariant systems there exists a basis of simultaneous eigenstates of the
Hamiltonian and the energy operator. As P̂ 2 = 1 the eigenvalues of P̂ can only be ±1. The corresponding
eigenstates are called parity-even and parity-odd states. We have encountered parity-symmetric systems
before, when we studied Hamiltonians of the form

p̂2
H= + V (x̂). (342)
2m
Parity invariance requires
p̂2
H = P̂ H P̂ = + V (−x̂) ⇒ V (−x̂) = V (x̂). (343)
2m
This is the case for the harmonic oscillator and various of the potential step problems we have considered
earlier. Let us now consider the implications of parity invariance for the infinite square well potential
considered in section 5.2. The Hamiltonian is invariant under a parity transformation around the centre of
the well x = a/2 and we therefore have a simultaneous basis of energy and parity eigenstates

Hψn (x) = En ψn (x) , Pa/2 ψn (x) = pn ψn (x) . (344)

Here we have denoted the position representation of the parity transformation operator by Pa/2 . We know
that the parity eigenvalues can only be ±1, and hence

P̂a/2 ψn (x) = ψn (a − x) = pn ψn (x), (345)

which tells us that the wave functions of energy eigenstates must be either symmetric or antisymmetric
around a/2. This is indeed the case as we have seen before.

53
Figure 10: Wave functions for the 3 lowest energy states in the infinite square well potential.

7.3 Rotations
We now turn to rotations. In QM there is a subtlety associated with rotations because of the existence of
spin. This is an intrinsic property of most particles and we will discuss it later. For now we restrict our
discussion to rotations for a spinless quantum mechanical particle.
Let’s consider a rotation around the z-axis by an infinitesimal angle dα

x0 = x − y dα ,
y 0 = y + x dα ,
z 0 = z. (346)

NB 6
This is the infinitesimal version of
 0   
x cos α − sin α 0 x
y 0  =  sin α cos α 0 y  . (347)
z0 0 0 1 z

Let us parametrize this rotation in terms of the vector ez dα, where the direction of the vector denotes
the rotation axis and its magnitude the angle of rotation. Position eigenstates should therefore transform
as
U (ez dα)|xi = |x0 i. (348)
We can work out an explicit expression for U (ez dα) by using the results we obtained for translations

i
|x + dxi = 1 − dx · p̂ |xi. (349)
~

To reproduce (346) we require dx = (−ydα, xdα, 0), which depends on x and y itself and we therefore should
take
i i
U (ez dα) = 1 − (−ŷ p̂x + x̂p̂y ) dα ≡ 1 − L̂z dα. (350)
~ ~
Here we have defined the operator for the z-component of orbital angular momentum

L̂z = x̂p̂y − ŷ p̂x .

(351)

In order to carry out a rotation by a finite angle we should consider

α N

h α iN i i
U (ez α) = lim U (ez ) = lim 1 − L̂z = e− ~ αL̂z . (352)
N →∞ N N →∞ ~ N

54
The last step can be proved in essentially the same way as the identity for numbers
h x iN
lim 1 + = ex . (353)
N →∞ N
It is straightforward to repeat the above analysis for rotations around the x or y axis. These are induced
by the x and y components of the orbital angular momentum

L̂x = ŷ p̂z − ẑ p̂y ,

L̂y = ẑ p̂x − x̂p̂z . (354)

A rotation by an angle α around a general direction n (where n is a vector of unit length) is generated by
the operator
i
U (nα) = e− ~ αn·L̂ .
(355)

8 Heisenberg picture and Heisenberg equation of motion

Recall that the TDSE can be written as
d|ψ(t)i
i~ = H|ψ(t)i. (356)
dt
You can check by taking the derivative with respect to time that the formal solution of this equation is (for
time-independent Hamiltonians)
i
|ψ(t)i = e− ~ Ht |ψ(0)i. (357)
The operator
i
U (t) = e− ~ Ht
(358)
is called time-evolution operator. As H is Hermitian U (t) is unitary

U (t)U † (t) = 1. (359)

This shows that quantum mechanical time evolution can be viewed as a unitary transformation of states. So
far our discussion has been based on time-independent operators and time evolving states. This is known as
the Schrödinger picture of QM. In daily quantum mechanical practice the objects of interest are not states
but rather matrix elements of operators
hψ(t)|O|φ(t)i. (360)
In the Schrödinger picture we work out the states at time t and then use them to obtain the desired matrix
element. Using the time evolution operator we can write our matrix element as

hψ(t)|O|φ(t)i = hψ(0)|U † (t)OU (t)|φ(0)i. (361)

Defining a time-dependent operator

OH (t) = U † (t)OU (t), (362)
we can write matrix elements as
hψ(0)|OH (t)|φ(0)i. (363)
This is known as the Heisenberg picture: here we fix a basis of quantum states once and for all, but operators
evolve in time. This turn out to be often a more convenient approach! The time evolution of operators is
governed by the Heisenberg equation of motion

d i
OH (t) = [H, OH (t)] .
dt ~ (364)

55
To see this we simply use that HU (t) = U (t)H (which holds as the Hamiltonian commutes with itself) and

d † i d i
U (t) = HU † (t) , U (t) = − U (t)H . (365)
dt ~ dt ~

Homework 8: Transformations and Heisenberg Equations of Motion

4.1 Reflection symmetry around a point x0

Let Px0 be the operator that induces reflections around a point x0 . Argue that

P̂x0 |x0 + xi = |x0 − xi ,

P̂x0 x̂P̂x0 = 2x0 1 − x̂ ,
P̂x0 p̂P̂x0 = −p̂, (366)

and that the transformed wave function fulfils

ψ 0 (x) = ψ(2x0 − x). (367)

p̂2
4.2 For which potentials V is the Hamiltonian H = 2m + V (x̂) translationally invariant?

4.3 Show that the orbital angular momentum operators L̂a (a = x, y, z) are Hermitian.

4.4 A spinless QM system is called rotationally invariant if its Hamiltonian commutes with the orbital
angular momentum operators [H, L̂a ] = 0, a = x, y, z. Rotational invariance expresses the fact the
energy measurements remain unchanged under rotations of the system. If the Hamiltonian commutes
only with L̂z it is called invariant under rotations around the z-axis. Consider Hamiltonians of the
form
p̂2
H= + V (x̂). (368)
2m
Show that potentials that depend only on the distance ||x|| lead to rotationally symmetric Hamil-
tonians, while potentials that depend on x and y only through the combination x2 + y 2 leads to
Hamiltonians that invariant under rotations around the z-axis.

4.5 Show that h x iN

lim 1+ = ex . (369)
N →∞ N
Give arguments that an analogous formula holds for operators.

4.6 Heisenberg equations of motion for the SHO

Derive the Heisenberg equations of motion for the creation and annihilation operators in the simple
harmonic oscillator and show that their solution is

a(t) = a(0)e−iωt , a† (t) = a† (0)eiωt . (370)

From these, obtain equations of motion for the position and momentum operators. Comment on the
relation of your results to Ehrenfest’s theorem.

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