Chapter1 - Quantum Field Theory and Green's Function
Chapter1 - Quantum Field Theory and Green's Function
Chapter1 - Quantum Field Theory and Green's Function
† Condensed matter physics studies systems with large numbers of identical particles (e.g. electrons, phonons, photons) at finite temperature.
† Quantum field theory arises naturally if we consider a quantum system composed by a large number of identical particles at finite
temperature.
n Xn exp-bEn - m Nn
X here) can be written as:
X =
n exp-bEn - m Nn
(1.1)
where b = 1 T (here the Boltzmann constant kB is set to unity) and m is the chemical potential. Here, we sum over all possible states of the
system (n ). For the nth state, the total energy of the whole system is En ; the particle number is Nn and the value of the quantity X is Xn .
where n sums over a complete basis of the Hilbert space n. H is the Hamiltonian. N is the particle number operator and X is the quantum
` ` `
operator of the quantity that we want to compute. The sum n n … n is also known as a trace Tr.
Here, we will not prove this operator formula, because it is not part of the main focus of this lecture. Instead, we will only demonstrate that by
choosing a proper basis, this (quantum) operator formula recovers the classical formula shown above, and therefore, the operator formula is a
natural quantum generalization of classical statistical physics.
If H̀, N = 0, we can choose the common eigenstates of H and N as our basis. In this basis, we have
` ` `
`
H n = En n (1.3)
and
`
N n = Nn n (1.4)
where En is the eigen-energy and Nn is the eigen-value of the particle number operator.
Using this basis, it is easy to check that
and therefore,
Here, we define Xn = n X n .
`
Note: the quantum field theory used in particle physics is the TÆ0 limit of this finite temperature theory.
Q: What happens if H̀, N π 0?
`
A: If H̀, N π 0, it implies that in this system, the particle number is not conserved. As will be discussed in
`
later chapters, particle conservation law is related with the U(1) phase symmetry for charge neutral
particles (or gauge symmetry for charged particles). The absences of particle conservation implies the
breaking of phase/gauge symmetry, which means that the system is a superfluid/superconductor.
Here, the + sign is for bosons and the - sign is for fermions. It is easy to check that the wavefunction is symmetric or anti-symmetric
Yr1 , r2 = ≤ Yr2 , r1 (1.10)
Yr1 , r2 , r3, ..., rn = ≤ 1P yi1 r1 yi2 r2 …yin rn (1.12)
P
where P represents all permutations. For a system with n particles, there are n ! different permutations and thus the r.h.s. has n ! terms. For a
system with a large number of indistinguishable particles, it is an extremely complicated to write down its wavefunction in this way. For
example, for a system with just ten particles, n=10, there are 10!º2.6 million terms, which is impossible to write down. In condensed matter
physics, a typical system has huge number of particles ( ~ 1023 ) and thus we need a better way to write down our quantum theory.
Phys620.nb 3
Note: in particle physics, although one typically studies systems with a very small number of particles (e.g.
two particles collides with each other in a collider), however, it is still necessary to consider a large number
because we have “virtue particles”. For example, the E&M interactions between two electrons is realized by
exchanging virtual photons. If one takes into account these virtual particles, the particle number is not very
small, and thus we shall use second quantization.
to specify which particle is in which quantum state. For example, yi r j means the particle number j is in the quantum state yi . This procedure
The reason why it is hard to write down wavefunctions for indistinguishable particles is because when we write do the wavefunciton, we need
is natural for distinguishable particles, where we do know which particle is in a particular quantum state. However, for indistinguishable
particles, we don’t know which particle is in this state, because we cannot distinguish these particles. In other words, the traditional way to
write down a wavefunction is designed for distinguishable particles. For indistinguishable particles, we need to first treat them as distinguish-
able particles, and then repeat the wavefunciton using all different permutations to make the wavefunction symmetric/anti-symmetric. This
procedure is not natural and is very complicated.
For indistinguishable particles, it is more natural to use the occupation number basis, which is known as the Fock space. In the Fock space, a
Y = n1 , n2 , n3 …nN
many-body quantum state is written in terms of occupation numbers:
(1.13)
where ni is the number of particles in state yi (ni is known as the occupation number). Here we don’t specify which particle is in the state
yi . Instead, we just count the number of particles in this state. In this approach, the particle are indistinguishable automatically and thus all
the complicates mentioned above are avoided.
and it is easy to check that these operators obey the following commutation relations:
For fermions, due to the Pauli exclusive principle, each quantum state can at most have one particle (so ni = 0 or 1).
ci † …, 1, … = 0 (1.18)
ci …, 1, … = 0 (1.20)
ci † …, 0, … = -1j=1
i-1
ni
…, 0, … (1.21)
Note: the factor -1j=1 ni is dropped in many textbooks, because +|y and -|y represent the same
i-1
quantum state. However, this factor is curial to ensure the anti-commutation relation ci , c j † = dij . We will
study this factor later when we examine 1D quantum systems.
bi † bi …, ni , … = ni …, ni , … (1.24)
Therefore, the particle number operator for bosons in the quantum state yi is
`
ni = bi † bi (1.25)
N = ni = bi † bi
` `
i i
(1.26)
ci † ci …, 0, … = 0 (1.27)
ci † ci …, 1, … = 1 (1.28)
Therefore, the particle number operator for fermions in the quantum state yi is
`
ni = ci † ci (1.29)
N = ni = c i † c i
` `
i i
(1.30)
In the next a couple of sections, we will only consider fermions as our example (c and c† ), but the same conclusions are applicable for bosons (b
and b† )
N 0 = ci † ci 0 = 0
`
i
(1.32)
Then, for any states with one particle (a one-particle state), we can write it as
y = ai ci † 0 (1.33)
i
y = aij c j † ci † 0 (1.34)
X = fk1 ,k2 …km ,q1 ,q2 …qm' ck1 ck2 ... ckm cq1 † cq2 † …cqm' † (1.36)
Phys620.nb 5
If every term in this operator has m annihilation operators and m’ creation operators, this operator is known as a (m+m’) fermion operator.
Therefore, in second quantization, anything we need to compute reduces to objects like this: ck1 ck2 ... ckn cq1 † cq2 † …cqm † . This type of objects
are known as correlation functions. If there are N creation and annihilation operators, it is known as a N-point correlation function. Here,
N = m + m '.
Q: What are the simplest nontrivial correlation functions? Here, “simplest” means that we want the number of creation and annihilation operator
to be as small as possible. “nontrivial” means the correlation function need to be nonzero.
A: If the particle number is conserved (H , N = 0, which is true for most of the cases we study), they are the two-point correlation functions.
` `
This is because, if H̀, N = 0, we can prove that ck1 ck2 ... ckm cq1 † cq2 † …cqm' † = 0 if m∫m’. In other words, if we want to have a nontrivial
`
correlation function, it must have the same number of creation and annihilation operators. Therefore, we only need to consider N-point
correlation functions ck cq † . The next one is four-point correlation ck1 ck2 cq1 † cq2 † .
correlation functions when N is even. The smallest positive even integer is 2, so the simplest nontrivial correlation functions are two-point
Proof: As shown above, if H̀, N = 0, we know that particle number is a conserved quantity and thus we can choose the common eigenstates of
`
` `
H and N as our basis. In this basis, we have
n n ck1 ck2 ... ckm cq1 † cq2 † …cqm' † n exp-bEn - m Nn
ck1 ck2 ... ckm cq1 † cq2 † …cqm' † =
n exp-bEn - m Nn
(1.38)
`
Because n is the eigenstate of the total particle number operator N , we know that the quantum state n has Nn particles.
Define
because a creation operator increase the particle number by 1, while an annihilation operator reduce it by 1, it is easy to note that y has
Nn + m ' - m particles.
If m ' ∫ m, Nn + m ' - m ∫ Nn , which means that the quantum states n and y has different number of particles, i.e. they are both eigen states
`
have different eigenvalues, so we know immediately that n y = 0. And therefore, n ck1 ck2 ... ckm cq1 † cq2 † …cqm' † n = 0. As a result, the
of N , but they have different eigenvalues. In quantum mechanics, we learned that two eigenstates of the same operator are orthogonal, if they
Note: If H̀, N π 0, we will have nonzero correlation functions with m π m'. For example, in superfluids,
`
b π 0, and in superconductors ck1 ck2 π 0. These cases will be considered later.
1.2.9. Summary
† The terminology of “second quantization” is due to historical reasons. We are NOT quantizing something for a second time. We are just
using a new basis to handle indistinguishable particles.
† In both high energy and condensed matter physics, quantum field theory utilize the “second quantization” construction. The reason is
because quantum field theory deals with more than one indistinguishable palaces, and the second quantization formulas are the most
natural way to describe this type of physics.
† In second quantization (same is true for quantum field theory), any physical quantities are reduced to computing various correlation
functions.
† If particle number is conserved, only correlation functions with same number of creation and annihilation operators are nontrivial.
† The order matters: ck cq † ∫ cq † ck . Therefore, depending on the way to order the creation/annihilation operators, we can define different
correlation functions. This topics will be address in the next section.
6 Phys620.nb
rr = y† r yr
` Ø Ø Ø
(1.42)
Here, y† r creates an electron at r and y(r ) annihilate an electron at r . Therefore, the potential energy part of the Hamiltonian is
Ø Ø Ø Ø
HP = „ r Ur y† r yr
Ø Ø Ø Ø
(1.43)
2 pd
(1.44)
Here, ek is the dispersion relation of a single particle and nk is the number of particles with momentum k. In the denominator, d is the
Ø Ø
spatial dimension of the system. In second quantization, the quantum operator for nk is
Ø
nk = y† k yk
` Ø Ø Ø
(1.45)
HK = ek y† k yk
„k Ø Ø Ø
2 pd
(1.46)
HK = y† k yk
„k k2 Ø Ø
2 p 2 m
(1.47)
d
A: We cannot just set e(k)=c|k| or ek = c2 k2 + m0 2 c4 . This is because |x| or x are not analytic functions (they are singular at
k = 0). For fermions, it turns out that we need two species of fermions to have a relativistic dispersion. This topic will be discussed
latter, when we study the Dirac theory.
Real space
The momentum space creation/annihilation operators and real space creation/annihilation operators are connected by the Fourier transforma-
tion. For the annihilation operator,
Phys620.nb 7
yr = ‰Â k ÿ r yk
„k Ø Ø Ø
2 pd
Ø
(1.49)
The transformation for the creation operators can be obtained by taking the Hermitian conjugate
y† k = „ r ‰Â k ÿ r y† r
Ø Ø Ø
Ø Ø
(1.50)
y r = ‰-Â k ÿ r y† k
„k Ø Ø Ø
2 p
† Ø (1.51)
d
“ y† r “ yr
Ø Ø Ø
HK = y k yk = „ r
„k k2 Ø Ø
2 pd 2 m
† Ø
(1.52)
2m
“ y† r “ y r
Ø Ø Ø Ø
2 pd 2 pd
Ø Ø
2m 2m
Ø Ø Ø Ø
2 p 2 p
Ø Ø
d d 2m
Ø Ø Ø Ø
(1.53)
2 pd 2 pd
Ø Ø
2m
Ø Ø Ø Ø Ø Ø Ø Ø
2 p 2 p 2 p 2 p
† d †
d d 2m d 2m d
“ y† r “ yr
Ø Ø
H = HK + HP = „ r + Ur y† r yr
Ø Ø Ø Ø
(1.54)
2m
where the first term is the kinetic energy and the second term is the lattice potential, where Ur is a periodic potential. In principle, we could
Ø
use this Hamiltonian. However, it is not the most convenient way to handle a lattice systems. A more convenient way utilizes Bloch waves and
the band structure. In a lattice system, the kinetic energy of a single particle is described by the band structure en k . Here n is the band index
Ø
Ø
and k is a momentum point in the (reduced) Brillouin zone. Therefore, total energy of the system (if we ignore interactions is)
Ø
E= en k nn k
„k Ø Ø
BZ 2 p
(1.55)
n d
Here, we sum over all bands n and the integral is over the first Brillouin zone BZ . nn k is the occupation number for the quantum state in
Ø
nn k = yn † k yn k
Ø Ø Ø
(1.56)
where y† n k creates a particles in band n with momentum k . In other words, it is the creation operator for a Bloch wave. yn k is the annihila-
Ø
tion operator for a Bloch wave. Therefore, the Hamiltonian for non-interacting electrons is
Ø
k 2 2 m. But please keep in mind that for a lattice system, we just need to substitute e = k 2 2 m into the corresponding dispersion for Bloch
For simplicity, we will not consider lattices in this chapter. Instead, we will only consider particles moving in free space with dispersion
waves.
Both the kinetic energy part of the Hamiltonian and the potential energy part contain one creation and one annihilation operator. So
they are both known as the quadratic terms, or two-fermion terms. If the Hamiltonian only contains these two terms, we call the
system a non-interacting system, because there is no interaction between particles in this Hamiltonian.
1.3.4.Interactions
Let’s consider Coulomb interaction between electrons. The total Coulomb energy is
rr = y† r yr
` Ø Ø Ø
(1.59)
„ r „ r ' V r - r ' y r y r ' yr ' yr + „ r „ r ' V r - r ' dr - r ' y r yr '
1 Ø Ø Ø Ø Ø Ø Ø Ø 1 Ø Ø Ø Ø
= † † †
2 2
V 0 N
2 2
V 0 = 1 0 = ¶, but this term will not cause any trouble. We can simply drop it, because this term just shifts the total energy by a constant. In a
where N is the total number of particles in the system. The last term may looks problematic (it is singular), because for the Coulomb interaction,
solid state material, this term is canceled by the potential energy from the nucleons.
Very typically, when we write down the Hamiltonian, we put the operators in such an order that creation operators are put on the left and
annihilation operators are on the right. This order is called normal order and the procedure to put operators in such an order is known as
"normal ordering".
Typically, one use two colons to represent normal ordering. If we put the product of some creation and annihilation operators operator between
two colons, it means that we reorder these operators into normal order. For bosons, we just reorder the operators. For fermions, we need an
extra factor +1 or -1, depending on whether we have even or odd number of permutations to reorder the operators. For example,
: y† r yr ' := y† r yr ' (1.62)
: yr ' yr '' y† r := y† r yr ' yr '' (1.64)
For the interaction terms, instead of using the most straightforward formula,
„ r „ r ' V r - r ' : y r yr y r ' yr ' := „ r „ r ' V r - r ' y r y r ' yr ' yr
1 Ø Ø Ø Ø Ø Ø Ø Ø 1 Ø Ø Ø Ø Ø Ø Ø Ø
HI = † † † †
(1.66)
2 2
These two definitions differ by a constant, which doesn’t play any fundamental role. In other words, using normal order shifts the total energy
by a constant. In fact, the reason we use normal ordering is because by doing so, the energy of the vacuum state is set to zero. In normal order,
annihilation operator is put to the right side. By definition, the vacuum state is destroyed by any annihilation operator
y 0 = 0 (1.67)
Therefore,
: H : 0 = … y 0 = 0 = 0 0 (1.68)
1.3.5. Summary
In this chapter, we consider the simplest case
“ y† r “ yr
Ø Ø
The quadratic term: kinetic energy for non-relativistic particles e = k 2 2 m. The quartic term: normal ordered four-Fermi interactions.
However, it is important to keep in mind that the conclusions and methods can be generalized easily to other more complicated cases.
“ y† r “ yr
Ø Ø
“ dr - r0 “ yr
Ø Ø Ø
yr0 , H = „ r
∑ yr0 , t
Ø
 = +
∑t 2m
„ r „ r ' dr - r0 V r - r ' y r ' yr ' y r + „ r „ r ' V r - r ' dr ' - r0 y r yr ' yr
1 Ø Ø Ø Ø Ø Ø Ø Ø Ø 1 Ø Ø Ø Ø Ø Ø Ø Ø Ø
† † (1.72)
2 2
Ø
+ „ r V r0 - r y† r , t yr , t yr0 , t
“2 yr0 , t
Ø Ø Ø Ø Ø
=-
2m
10 Phys620.nb
∑ y† r0 , t “2 y† r0 , t
Ø Ø
+ y† r0 „ r V r0 - r y† r yr
Ø Ø Ø Ø Ø (1.73)
-Â =-
∑t 2m
For noninteracting particles V = 0, this equation is very similar to the Schrodinger equation. But please keep in mind that y and y† here are
operators, instead of wavefunctions.
Here, the factor 1 Â is introduced for historical reason. For systems with translational symmetry in space and time, G> r1, t1 ; r2 t2 only depends
Ø Ø
∑t G> r .t = ∑t1 G> r .t1 - t2 = ∑t1 yr1 , t1 y† r2 , t2 = -Â ∑t1 yr1 , t1 y† r2 , t2
Ø Ø 1 Ø Ø Ø Ø
Â
yr1 , t1
Ø
because for a different f r.t, it seems that we will need to solve a different equation. However, this is not the case. We just need to solve one
The terminology inhomogeneous equation means that the r.h.s. of the equation is nonzero. Inhomogeneous equation may look complicated,
question and then for any f r., t, we can get the solution directly.
Q: How do we solve an inhomogeneous partial differential equation?
A: Let’s look at the E&M textbook. The Green’s function method.
“ ÿ Er = rr
Ø Ø Ø
(1.80)
Phys620.nb 11
We know that
Er = -“ fr
Ø Ø Ø
(1.81)
so
“2 fr = rr
Ø Ø
(1.82)
This is an inhomogeneous equation. How do we solve it? We first solve a different equation:
Gr1 , r2 is the electric potential at point r1 induced by a point charge located at position r2 . We know the solution of this equation, which is just
Ø Ø Ø Ø
Gr1 , r2 =
Ø Ø 1 1
Ø Ø (1.84)
4p r1 - r2
After we find Gr1 , r2 , the solution for the inhomogeneous equation “2 fr = rr can be obtained easily as
Ø Ø Ø Ø
Mathematicians call Gr1 , r2 the Green’s function. And this methods of solving inhomogeneous PDEs are known as the Green’s function
Ø Ø
approach. In general, one first substitute the inhomogeneous part with a delta function. Then, one solve this new PDE, whose solution is the
Green’s function. Once the Green’s function is obtained, one can write down the solution of the inhomogeneous PDE very easily using an
integral. For the correlation function G> , the equation of motion is
“2
 ∑t + Gr, t = dr dt (1.87)
2m
and Gr, t is our Green’s function.
For bosons, we use the + sign and for fermions we use the - sign. Another way to write down the same product is
where hx is the step function hx = 1 for x > 0 and hx = 0 for x < 0. Now, let’s consider the EOM for Gr, t.
= -Â ∑t1 yr1 , t1 y† r2 , t2 ht1 - t2 ≤ y† r2 , t2 -Â ∑t1 yr1 , t1 ht2 - t1 -
Â
„ r „ t -Â ∑t + exp-Â k r + Â w t G0 r, t = 1
“2
(1.95)
2m
„ r „ t exp-Â k r + Â w t G0 r, t = 1
k2
w- (1.96)
2m
Define
2 pd 2 p
(1.98)
G0 k, w = 1
k2
w- (1.99)
2m
and therefore
G0 k, w =
1
k2 (1.100)
w-
2m
G0 k, w =
1
(1.101)
w - ek
For example, in a lattice system, if we ignore interactions, the Green’s function for particles in band n is
G0 n k, w =
1
w - en k
(1.102)
Phys620.nb 13
Here, we assume that both the creation and annihilation operators are for Bloch waves in band n. If the two operators are for different bands, the
correlation function is zero.
As mentioned in Sec., because the product between two operators is in general non-commutative AB ∫ BA, the order of operators matters a
1.5.1. Other correlation functions and the boundary condition
lot. Depending on the order of operators, we can define many different correlation functions. For example, the time-ordered correlation function
defined above. In addition, we can define the following two correlation functions (and other correlation functions).
This is because the commutation/anti-commutation relations we are familiar with are “equal time” commutation/anti-commutation relations.
Please notice that all the operators are at the same time (remember that we are using the Heisenberg picture, so that the operators are time-
dependent).
What we considered here are operators at different time points
y1 y† 2 ≤ y† 2 y1 = yr1 , t1 y† r2 , t2 ≤ y† r2 , t2 yr1 , t1 ∫ d1 - 2 (1.107)
 Tr exp-bH̀ - m N
> †
`
 (1.109)
= Tr exp-bH̀ - m N exp H t1 yr1 exp- H t1 exp H t2 y† r2 exp- H t2  Tr exp-bH̀ - m N
` ` ` ` ` `
G> 1, 2 = Tr exp-bH̀ - m N exp H t1 yr1 exp- H t1 exp H t2 y† r2 exp- H t2  Tr exp-bH̀ - m N
` ` ` ` ` `
= expb m N expEn  t1 - b n yr1 exp- H t1 exp H t2 y† r2 n exp- En t2  Tr exp-bH̀ - m N
` ` `
 Tr exp-bH̀ - m N
= expb m N `
Because En has no upper bound, as En Ø +¶, to keep the factor expEn  t1 -  t2 - b converge, we need to have
Re t1 t2 0, In other words, Im t1 - t2 > -b.
In the same time, using 1 = m m m , we have
G> 1, 2 = expb m N
expEn  t1 -  t2 - b n yr1 m m exp- H t1 exp H t2 y† r2 n  Tr exp-bH̀ - m N =
` ` `
expb m N expEn  t1 -  t2 - b n yr1 m m y† r2 n exp Em t2 - t1  Tr exp-bH̀ - m N
n m (1.111)
`
Tr expb m N exp H t1 yr1 exp- H t1 exp-b H exp H t2 y† r2 exp- H t2  Tr exp-bH̀ - m N =
` ` ` ` ` ` `
Tr exp H t1 yr1 expb m Ǹ - 1 exp- H t1 exp-b H exp H t2 y† r2 exp- H t2
` ` ` ` `
 Tr exp-bH̀ - m N =
` (1.112)
e- bm Tr exp H t1 yr1 exp- H t1 exp-bH - m N exp H t2 y† r2 exp- H t2  Tr exp-bH̀ - m N =
` ` ` ` ` ` `
So,
G> if Imt1 < Im t2
T G=
≤ G< if Im t1 > Im t2
(1.115)
This is a boundary condition for imaginary time. At m=0, Bosons have a periodic BC, and fermions have an anti-periodic BC.
 e b m „ r „ t ‰- k r+ w t G> r, t -  b =  e b m „ r „ t ' ‰- k r+ w t'+ b G> r, t ' = ‰ - bw-m G> k, w
(1.118)
Because G k, w = ‰
< - bw-m
G k, w
>
So
For bosons,
bw - m = 2 n p  (1.126)
2npÂ
w= +m (1.127)
b
Following the historical convention, we write w = Â wn
2np
wn = -Âm (1.128)
b
These discrete frequency points wn are known as the Matsubara frequencies
16 Phys620.nb
For fermions,
bw - m = 2 n + 1 p  (1.129)
2 n + 1 p Â
w= +m (1.130)
b
2n+1
wn = p-Âm (1.131)
b
After we find Gk, Âwn , where wn takes discrete values, now let’s define a new function Gk, z by simply replacing the discrete number  wn
1.5.5. G in the k,w space part II: analytic continuation
(there may be some singularity points). At the Matsubara frequencies, this new function Gk, z coincides with Gk, Âwn . This procedure is
into a complex number z that various continuously . For the function Gk, z, it is a function well-defined at every point on the complex z plane
get G> and G< from G. Later, we will use this Gk, z to compute Gk, Âwn .
known as analytic continuation. This new function is very useful. Here, I will show you that by defining Gk, z, we can find a very easy way to
Gk, Â wn =
-Â b
„ t ‰-wn t Gk, t =
Gk, z =
„ w Ak, w
(1.133)
2p z-w
Now, we substitute z by w + Âd
Gk, w + Â e =
„W Ak, W
(1.134)
2p w+Âe-W
=
Gk, w + Â e - Gk, w - Â e 1 „W Ak, W Ak, W
ImGk, w + Â e = = -
2Â w-Âe-W 2Â 2p w+Âe-W
-2 Â e = -
(1.135)
Ak, W = - „ W dw - W Ak, W = - Ak, w
1 „W Ak, W „W 1 e 1
2Â 2 p w - W + e
2 2 2 p w - W + e
2 2 2 2
So,
Ak, w = -2 ImGk, w + Â e (1.136)
G0 k, Â wn = 1
k2
 wn - (1.138)
2m
G0 k, Â wn =
1
k2 (1.139)
 wn -
2m
G0 k, Â wn =
1
(1.140)
 wn - ek
Analytic continuation:
G0 k, z =
1
(1.141)
z - ek
the spectral function:
= = 2 p dw - ek
1 2e
w - ek 2 + e2
Ak, w = -2 ImGk, w + Â e = -2 Im (1.142)
w + Â e - ek
particular number:
nk t = yk † t yk t = G< k, t - t = G< k, w = 2 p dw - ek f w = f ek
„w „w
(1.143)
2p 2p
1 ≤ nk t = yk t yk † t = G> k, t - t = G> k, w = 2 p dw - ek 1 ≤ f w = 1 ≤ f ek
„w „w
(1.144)
2p 2p
Then we can get all other correlation functions like G k, t - t and G k, t - t using
< >
Ty1 y† 1 '
1
G1, 1 ' = (1.148)
Â
Two-particle Green’s function:
G3 1, 2, 3; 1 ', 2 ', 3 ' = Ty1 y2 y3 y† 3 ' y† 2 ' y† 1 '
1 3
(1.150)
Â
n-particle Green’s function:
18 Phys620.nb
Gn 1, 2, …, n; 1 ', 2 ', …, n ' = Ty1 y2 …yn y† n ' …y† 2 ' y† 1 '
1 n
(1.151)
Â
“ dr - r0 “ yr
1.6.2. the equations of motion of the Green’s functions
= yr0 , H = „ r
∑ yr0 , t
 +
∑t 2m
„ r „ r ' dr - r0 V r - r ' y r ' yr ' yr + „ r „ r ' V r - r ' dr ' - r0 y r yr ' yr
1 1
† †
(1.152)
2 2
“2 G1, 1 ' = d1 - 1 ' + Â „ r V r1 - r2 T y† r2 , t1 yr2 , t1 yr1 , t1 y† r1' , t1' =
1 1 2
 ∑t +
2m Â
 (1.154)
Here 2+ means that the time argument for 2+ is slightly larger than 2, to keep the operators in the right order t2 + = t2 + d.
“2 G2 1, 2; 1 ', 2 ' = d1 - 1 ' G2, 2 ' ≤ d1 - 2 ' G2, 1 ' ≤ Â „ r2 V r1 - r2 G3 1, 2, 3; 1 ', 2 ', 3+
1
 ∑t + t1 =t3 (1.156)
2m
This equation tells us that in order to get G2 , we need to know G3 . Repeat the same procedure, we find that if we want to know Gn , we need to
know Gn+1 .
“2 Gn 1, 2, …, n; 1 ', 2 ', …, n ' = d1 - 1 ' Gn-1 2, …, n; 2 ', …, n ' ≤ d1 - 2 ' Gn-1 2, …, n; 1 ', 3 ', …, n ' +
1
 ∑t +
2m
So we cannot get a close set of equations. In order words, the number of unknowns is always the number of equations+1, and thus there
is no way to solve these equations.
Notice that Gn-1 is related to V μ Gn . Therefore, to get G up to the order of OV , we just need to keep G2 to the order of OV , and G3 to
OV n-2 … to OV 0 and set Gn+2 = 0
n n-1
If we want to get G to the first order, we need to set G3 = 0 and keep G2 to OV 0
1.6.5. the first-order approximation (the Hartree-Fock approximation)
“r1 2 G2 1, 2; 1 ', 2 ' = d1 - 1 ' G2, 2 ' ≤ d1 - 2 ' G2, 1 ' + OV G3 = d1 - 1 ' G0 2, 2 ' ≤ d1 - 2 ' G0 2, 1 '
1
 ∑t1 + (1.162)
2m
two equations and two unknowns. The solution for the second equation is very simple:
G2 1, 2; 1 ', 2 ' = G0 1, 1 ' G0 2, 2 ' ≤ G0 1, 2 ' G0 2, 1 ' (1.163)
Let’s check it
“r1 2 G0 1, 1 ' G0 2, 2 ' = d1 - 1 ' G0 2, 2 '
1
 ∑t1 + (1.164)
2m
“r1 2 G0 1, 2 ' G0 2, 1 ' = d1, 2 ' G0 2, 1 '
1
 ∑t1 + (1.165)
2m
So we can go back to the first equation to get G.
1
 ∑t1 + “r1 2 G1, 1 ' =
2m
d1 - 1 ' ≤ Â „ r2 V r1 - r2 G0 1, 1 ' G0 2, 2+ +Â „ r2 V r1 - r2 G0 1, 2+ G0 2, 1 '
(1.166)
t1 =t2 t1 =t2
“r1 2 „ r3 „ t3 G0 1, 3 f 3, 1 ' = „ r3 „ t3 d1 - 3 f 3, 1 ' = f 1, 1 '
1
 ∑t1 + (1.172)
2m
So
G1 1, 1 ' = „ r3 „ t3 G0 1, 3 f 3, 1 ' = ≤ Â „ r3 „ t3 „ r2 G0 1, 3 V r3 - r2 G0 3, 1 ' G0 2, 2+ t3 =t2
G1, 1 ' = G0 1, 1 ' ≤ Â „ r3 „ t3 „ r2 G0 1, 3 V r3 - r2 dt3 - t2 G0 3, 1 ' G0 2, 2+ +
The first term is the free propagator, the second therm is known as the Hartree term and the last term is the Fock term.
If we want to get G to the order of OV 2 , we set G4 = 0, keep G3 to OV 0 and G2 to OV 1
1.6.6. second order:
“2 G2 1, 2; 1 ', 2 ' = d1 - 1 ' G2, 2 ' + d1 - 2 ' G2, 1 ' ≤ Â „ r2 V r1 - r2 G3 1, 2, 3; 1 ', 2 ', 3+
1
 ∑t + t1 =t3 (1.176)
2m
“r1 2 G3 1, 2, 3; 1 ', 2 ', 3 ' = d1 - 1 ' G2 2, 3; 2 ', 3 ' ≤ d1 - 2 ' G2 2, 3; 1 ', 3 ' + d1 - 3 ' G2 2, 3; 1 ', 2 '
1
 ∑t1 + (1.177)
2m
The last equation give us (keep only OV 0 terms)
G3 1, 2, 3; 1 ', 2 ', 3 ' = G0 1, 1 ' G0 2, 2 ' G0 3, 3 ' ≤ G0 1, 1 ' G0 2, 3 ' G0 2, 3 ' ≤ G0 1, 2 ' G0 2, 1 ' G0 3, 3 ' +
G0 1, 2 ' G0 2, 3 ' G0 3, 1 ' + G0 1, 3 ' G0 2, 1 ' G0 3, 2 ' ≤ G0 1, 3 ' G0 2, 2 ' G0 3, 1 '
(1.178)
an example. Because G1, 1 ' = Ty1 y† 1 ' has one creation and one annihilation term, we have one ending point and one starting point
contains no V , first order terms contains just one V , nth order term contains n V . Here we consider two point correlation functions G1, 1 ' as
1
Â
for solid lines. At the zeroth order, we don’t have V , and these two points are the only thing we have in our diagrams. As a result the only
diagram we have is a solid line connecting these two points.
Phys620.nb 21
The first order terms has one V , and it is easy to note that there are only two ways to connect the diagrams
G1, 1 ' = G0 1, 1 ' ≤ Â „ r3 „ t3 „ r2 G0 1, 3 V r3 - r2 dt3 - t2 G0 3, 1 ' G0 2, 2+ +
If we want higher order terms, we just add more V s to the diagrams. For example, if we have two V s (second order terms), we have
We just need to find all the plots and then write them into integrals (and the compute the integrals).
1.6.8. k,w-space
If the system have momentum and energy conservation laws, it is typically much easier to compute Green’s functions in the momentum-energy
space. In the k,w-space, we use the same diagrams and in addition, we also:
† Assign momentum and frequency to each line and keep the momentum and energy conservation law at each ending point or crossing
points.
† For each loop, there is a pair of unknown q and  Wn and we need to integrate/sum over them.
† For each fermionic loop, we get an extra factor of (-1), which comes the commutation relation.
† For mth order diagram, we get a factor -1m
For example, using the same diagram above, we can compute the two point correlation functions as
Gk, Âwn = G0 k, Âwn ¡ Â W G0 k, Âwn G0 k, Âwn V 0, 0 G0 k, Â Wn -
„q 1
2 p3 b n
 W G0 k, Âwn G0 k, Âwn G0 k + q, Âwn +  Wn V q,  Wn + ...
(1.180)
„q 1
2 p3 b n
q X = a q + a q2 + a q3 + a q4 + … (1.182)
then, we rewrite X as
X = a + a q + a q2 + a q3 + … = a + q X (1.183)
So,
X -qX =a (1.184)
a
X= (1.185)
1-q
We can use the same trick to sum many Feynman diagrams.
…
Here we sum over these diagrams and ignore others. This approximation is known as the Hartree approximation.
Gk, Âwn º G0 k, Âwn + G0 k, Âwn SH k, Âwn G0 k, Âwn + G0 k, Âwn SH k, Âwn G0 k, Âwn SH k, Âwn G0 k, Âwn +
G0 k, Âwn SH k, Âwn G0 k, Âwn SH k, Âwn G0 k, Âwn SH k, Âwn G0 k, Âwn + …
(1.186)
where
This term is known as the self-energy correction. It is the same diagram we considered above but with external legs removed. Using the same
trick mentioned above, we find
GH k, Âwn = G0 k, Âwn 1 - SH k, Âwn G0 k, Âwn = G0 k, Âwn -1 - SH k, Âwn
1
w - ek - SH k, Âwn
-1 -1
= (1.188)
similar to the free Green’s function G0 . The only thing interactions does is to change the single particle energy ek into ek + SH k, Âwn . In
This technique and this formula is known as the Dyson’s equation. Here, we find that the Green’s function for interacting particles is very
other words, the interactions changes the “energy” of the particle by SH k, Âwn . This is the reason why this term is called a self-energy
correction. However, it is important to keep in mind that this term is NOT really a shift in ek, because it is also a function of frequency.
2 …
The approximation that sums over these diagrams (and ignore others) are known as the Hartree-Fock approximation.
Gk, Âwn º G0 k, Âwn + G0 k, Âwn SHF k, Âwn G0 k, Âwn + G0 k, Âwn SHF k, Âwn G0 k, Âwn SHF k, Âwn G0 k, Âwn +
G0 k, Âwn SHF k, Âwn G0 k, Âwn SHF k, Âwn G0 k, Âwn SHF k, Âwn G0 k, Âwn + …
(1.189)
GHF k, Âwn = G0 k, Âwn 1 - SHF k, Âwn G0 k, Âwn = G0 k, Âwn -1 - SHF k, Âwn
1
w - ek - SHF k, Âwn
-1 -1
= (1.191)
The final result is almost the same as the Hartree approximation. We just need to change SH k, Âwn into SHF k, Âwn .
If we use the Dyson’s equation, the key is to avoid double counting. For example, the second order diagram has been
included in the Hartree approximation when we include in the self-energy. Therefore, when we compute second order self-energy
corrections, we should not include this diagram again. The rule to avoid double counting is to use 1-particle irreducible diagrams in the self-
energy S. One-particle irreducible diagrams means that if we cut one internal link (solid line), the diagram is still connected. For example, the
following diagrams are 1-particle irreducible diagrams, and thus they should be include din the self-energy:
This diagram is not 1-particle irreducible, and thus we should not include them in the self-energy correction (it has already been taken care of
by the first order term )
1.7.6. Summary
† Draw all possible 1-particle-irreducible diagrams.
† Remove external legs to get the self energy (note: each fermion loop contributes a factor -1. For nth order diagram, we need an factor
-1n in the momentum space formula).
† Use Dyson’s equation to get the full Green’s function. GÂ wn =
Âwn -ek-Sk,Âwn
1
† Other particles can be treated using the same approach (photons, phonons, etc.)
24 Phys620.nb
1.8.1. Ak, w ≥ 0
The proof can be found in the book of Mahan (page 151). We will not show it here.
1.8.2.
‚w
Ak, w=1
Ak, w = G> k, w ¡ G< k, w
2p
(1.195)
Ak, w = G> k, w ¡ G< k, w = yk, t0 y† k, t0 ¡ y† k, t0 yk, t0 = 1 = 1
¶ „w ¶ „w ¶„w
(1.200)
-¶ 2p -¶ 2p -¶ 2p
= limeØ0 = 2 p dw - ek
1 2e
w - ek 2 + e2
Ak, w = -2 limeØ0 ImGk, w + Â e = -2 limeØ0 Im (1.202)
w + Â e - ek
For a fixed k, if we plot Ak, w as a function of w, we find a delta peak at w = ek . This delta peak means that for a free particle with momentum
k, the energy of this particle can only take one value: w = ek . And it is easy to check that
¶ „w
Ak, w = 1 (1.203)
-¶ 2p
Gk, Âwn =
1 1
Âwn - ek - Sk, Âwn Âwn - ek - ReSk, Âwn - Â ImSk, Âwn
= (1.204)
=
1 1
w + Â e - ek - S1 k, w + Â e - Â S2 k, w + Â e
-2 limeØ0 ImGk, w + Â e = = -2 limeØ0 Im
Âwn - ek - Sk, w + Â e
2 S2 k, w + Â e 2 S2 k, w
(1.206)
w - ek - S1 k, w + Â e2 + S2 k, w + Â e2 w - ek - S1 k, w2 + S2 k, w2
limeØ0 =
ek + S1 k. In other words, interactions between electrons change the energy of a particle from ek into ek + S1 k. The physical meaning
Here, the spectrum function is also a delta function, which implies that for a particle with momentum k the energy of this particle is
In reality, S1 k, w also depends on w. Here, for a fixed k, we can solve the following equation
where ek is the solution of the equation w - ek - S1 k, w = 0 (we assume that there is only one solution for simplicity). Here, we used the
è
dx - xi
fact that
d f x =
f ' xi
i
(1.210)
Here, we learned that the real part of the self-energy can do two things: (1) renormalizing the dispersion relation and (2) changing the coeffi-
cient in front of the delta function.
But remember that
¶ „w
Ak, w = 1 (1.212)
-¶ 2p
while
Zk dw - ek = Zk ∫ 1
¶ „w
è (1.213)
-¶ 2p
This means that if Zk ∫ 1, ImSk, w cannot be zero for all frequency. So we must consider ImSk, w to fully understand interaction effects.
26 Phys620.nb
If S2 is small, Ak, w still shows a peak when we fix k and plot Ak, w as a function of w. The location of the peak is at ek, where again ek
è è
is the solution of the equation w - ek - S1 k, w = 0. The width of the peak is S2 k, w.
The fact that Ak, w is not a delta peak implies that for a fixed k, the energy of the particle is not a unique value, but has a distribution. In other
words, there is an uncertain in energy. This comes from the uncertainty principle for time and energy. The uncertainty principle tells us that to
measure the energy with infinite accuracy, it must take infinite long time. Here, what we are trying to do is to measure the energy of a particle
with a fixed momentum k. If the momentum of this particle remains k for infinite long time, we can determine its energy accurately. But if the
momentum of the particle varies with time, we will not have enough time to measure the energy, and thus the energy has an uncertainty Ñ/t,
where t is the time span in which the momentum can remain unchanged. For non-interacting systems, the momentum of the particle never
change, so that we can determine the energy. Therefore, the spectral function is a delta function. For interacting systems, because a particle with
momentum k will collide with other particles, its momentum can only remain invariant between to collisions. If the average time span between
two collisions is t, which is known as the collision time or the life time of an electron, the energy would get an uncertainty Ñ/t. This is the
width of the peak, i.e. the imaginary part of the self-energy.
In summary, the real part of the self-energy modifies the dispersion relation while the imaginary part tells us the inverse of the life time of this
If S2 k, w << e k, the width of the peak is small, and thus we can think this peaks as “almost” free particles. Peaks in the spectral function of
particle.
è
this type are called quasi-particles. The are not the particles that we originally consider. They have a different dispersion ek and they have
è
finite life time 1 S2 .
If S2 k, w >> e k, the concept of a particle becomes ill-defined. There, particles scatter with each other so frequently, i.e. particles are
è
correlated so strongly with each other, that we cannot separate a single particle from the environment.
Experimentally/theoretically, to determine whether a system contains quasi-particles or not, we plot Ak, w and search for peaks.
1.8.7. Diagrams
In QED, the interaction V in our diagrams is substitute by the Green’s function of photons. There, we can understand the diagram of interaction
as an electron shots a photon, which is then absorbed by another electron.