Usuário: Senha:: mcqq.2006 mcqq-2006

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!!

João Pessoa, 26/junho/2006

www.gmail.com
Usuário: mcqq.2006
Senha: mcqq-2006

1
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Bibliografia:
1. Jensen, F., Introduction to Computational Chemistry, John Wiley & Sons Ltd., 2002.
2. Cramer, C.J., Essentials of Computational Chemistry: Theories and Models, John Wiley &
Sons Ltd., 2nd Edition, 2002.
3. Szabo, A; Ostlund, N. S., Modern Quantum Chemistry: Introduction to Advanced Electronic
Structure Theory, McGraw-Hill Publishing Company,New York, NY, 1989.
4. Pople, J.A.; Beveridge, D. L., Approximate Molecular Orbital Theory, McGraw-Hill, New York,
1970, Series in Advanced Chemistry.
5. Foresman, J.B.; Frisch, A. Exploring Chemistry with Electronic Structure Methods: A Guide to
Using Gaussian, Gaussian Inc., 1993.

2
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8? 2

3 &$ $
# + $ P

= ν ν ν

E = nhν
Prêmio Nobel em 1918
h = 6,62608 x10 −34 Js

4
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E fóton = Eelétron + Ecinética


1 1 Prêmio Nobel em 1921
hν = hν 0 + mv 2 ∴ hν = Φ + mv 2
2 2
@φ #
+ G
&$

ν φ

5 R, > %= P

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#) #& ,
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7
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3 -
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* +, = ; "N ! +
" VJA @

3 = #
9 *
1 A<A 6 # * @ 9VA # @
969 @ 9 K0 # 3
;

1 1 1
=R −
22 n 2

R: constante de Rybderg
n = 3, 4, 5, ...

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W

0 5 # ! !
" * W

8
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J 6 D ; *

!-# Prêmio Nobel em 1922

( G # = !

0 3 + = ! $
+

π com n = 1, 2, 3, ...
L = nh / 2π

6 3 = ! $ G

9 Q = ! G
! #
En = - (e2 m / 2 2 ) Z2 / n2

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3 -

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( ; * $
G * +,

9
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3 -

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3 -
J 6 D ; *
? 0 3 + = ! $
+ π com n = 1, 2, 3, ...
L = nh / 2π

? + $
# ?

J0< X ; +

; + + @ $
= " @ @
&$

h
= p = mv
p Prêmio Nobel em 1929

10
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3 -
J0< X ; +

h
= p = mv
p

? = + @λ G = $
! #

? = @λ + G =
! #

" # $

3 -

? ; * @ * +, = 8 = !
! G
U

? . ; + @ = ! G# G ; * @
G = ! U

h h
2 r=n =n rp = n =n =L
p 2
5 . ; + @ G
D @ - $
@

11

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