Introduccin a la Mecnica Cuntica

Patricio Romero Hasler

Mtodo Variacional
3
Consiste en la utilizacin de funciones de onda de prueba
para la obtencin de la Energa de un sistema, con el fin de
ahorrarse el clculo exacto de la funcin de onda a partir de
la ecuacin de Schrdinger.
Teorema Variacional
Hamiltoniano independiente del tiempo, con valor
propio igual a la energa mnima se cumple que:
La funcin de prueba debe tener buen comportamiento,
y satisfacer las condiciones lmites del sistema.
4

*
0
*
H
E E


=

H
0
E
Ejercicio 8.1
Para una partcula en una caja unidimensional de
longitud L, determine el valor medio de la energa,
considerando la funcin de prueba = x ( L - x).
Esta funcin no contiene un parmetro por determinar
y cumple con las condiciones de una partcula de masa
m confinada en una caja con V(x) = 0 en 0 x L
Determine porcentualmente cunto ms alta es la
energa obtenida, respecto del valor fundamental.
5
Ejercicio 6.1
6
( )
( )

( ) ( )
( ) ( )
2 2
2
*
2
0
*
0
2
2
0
2
0
0
2
2
L
L
L
L
d
x L
x L x
V x
d
H
m dx
H
E
x x L x dx
d
m
x
x L x dx

= =

( ) ( )
( ) ( )
( ) ( ) ( )( )
( ) ( )
2
0
2
2 2
*
2
2 2 2 2 3 4
0 0 0 0 0
5 5 5
2
0
*
0
2
0
2
2
0 0
3 3 3
2 2
0 0 0
2 2
10 1
3 2 5
2
2 2
2 2 2
2 3 3
2
L
L L
L L
L
L
L
L
L L L L
L
x L x dx
x L x dx x L
d
x L x x L x dx
dx
d
x L x x L x dx x L x dx
dx
L L L
x
xL x dx L x dx L x
L x d
dx x d
x L xdx x
H
E
x
L
d
L L
m
x



=

= = +

= + = +

= + =
= + =

= =

5
5
5 6
30 30
L
L
+
=
La energa es un 1.32% mayor a la correspondiente al
estado fundamental.
8
2 2 2
2 2 2
2
0
2
2 2
2 2 2 2
2
2
5
3
5 5
2 4
8
5 5 1
3
4 8 4 8
100 100 1.32
1
8
8
30 h
E
m mL mL
h
E
mL
h h
mL
L
L
L
L
m
h
m

= =
=
| |

|
= =
|
|
|
=
\

.

Ejercicio 8.2
Para el estado fundamental del tomo de hidrgeno
use la funcin de prueba = e
-a r
, donde a es un
parmetro variacional.
Calcule la energa media del tomo de hidrgeno y
comprala con la del estado fundamental.
Cun bueno es el acuerdo?
9
10

2 2
2 2
2 2
2
2
0
*
0
2
2
0
*
0
0
2
0
1
1
4
2
2
4
4
4
ar a
r
ar
r
a
a
d d q
r e r e dr
r
e
d d q
H r
r dr dr r
dr dr
r e dr
E
r
H

| |

| |
=
|
\ .
= =
| (
\ .

11

( )

*
*
2
2
0
2
0
2
0
0
0
0
0
2
2
0
2
0
2
0
2
*
*
*
0 0
*
sin
sin
sin
,
s
sin
in
a
a
H
H dV
E dV r dr d d
dV
como H son slo funciones de r se puede factoriza
r dr
r dr
r d
d
d
d
d
r clau
d
r
r
sur
d
d
d d
a
r
H
E

= = =

= =

0
*
*
*
*
2
0
2
0
0
2
0
2
0
0
2
2
0
2
0
0
sin
si
4
4
i
4
n
sn
a
r dr
r dr
r d
H
H r
r dr
d
d
E
d
d
d
d
H

=
=

12
( )
( )
( )
2 2
2 2
2
0
0
2 2
2 2 2 2
2
0
0
2 2
2 2 2
0
0
2 2
2 2 2 2
0
0
2
2 2 2
1
2 4
1
2 4
2
2 4
2
2 4
2
2
ar ar
ar ar ar
ar ar ar ar
ar ar
a
d d q
r e r e dr
r dr dr r
d q
r e r ae r e dr
r dr r
q
e are a r e re dr
q
a r ar e re dr
a r ar e

| |

| (
\ .

2 2 2
2
2
0 0
0 0
1 1
4 2 4 4 4
r ar
q q
dr re dr
a a

( (
=
( (



1
0
!
n bx
n
n
x e dx
b

+
=

La energa corresponde la energa exacta del valor

fundamental. Esto se debe a que la funcin de prueba tiene
la misma forma que la funcin obtenida a partir del
hamiltoniano.
13
2 2 2
0
2 2 2
min
min
2
0 0 0
2
min
2
2 2
2
0
2
2
2
0
3
2
3
0
1
1 1
2 4 4 4
4
2 4
1
4 4
2
4
0
3
L
a
ar
a q a
E
a dE q q
a
da a
r e dr
a
a
a
q
q
a
E

( (
= =
= = = =

=
( (
=

Ejercicio 8.3
Calcule la energa del estado fundamental del
oscilador armnico utilizando la funcin de prueba
donde a es un parmetro variacional.
Comprala con el valor exacto
14
( )
2 2
1
x a
=
+
0
2
h
E

=
Funcin Gama
15
( )
1 1
2 2 1 2
2 2
0
2
m m
m
p
m p
p
p
x
dx a
a x
+ + | | | |

| |
+ \ . \ .

=

( ) ( )
( )
( ) ( )
1
2
1
1
1
0
!
Re 0
n n
n
z x
z z
n
n
x e dx z

| |
|
\ .
+
+

=
=
=
= >

Funcin Gama
16
( ) ( )
( )
( ) ( ) ( ) ( ) ( )
1
2
1
1
1 1 1 1 2 1 2
1 1 1 3 3
1 1
2 2 2 2 2
!
0! 1 1 1 2 2
1 3 3 3
2 2 2 2 2 4
n n
n
n
n

| |
|
\ .
+
+
+ +
| | | | | | | | | |
+ +
| | | | |
\ . \ . \ . \ . \ .
=
=
=
= = = = = =
= = = = = =
17
( )

( )

( ) ( )
( )
2 2
2 2
2
2
*
* 2
2 2
2
2
2
2
2 2 2
1
2 2
1
1 1
2 2
a
x a
d kx
H
m dx
H dx H dx
E
dx d
d kx
dx
m d
dx
x a
x a
x
x
a x

=
+

= +
= = =
(
+
(
+ +

18
( ) ( ) ( )
( )
( )
( )
( )
( )
( )
( ) ( )
2 2 2 2
1
2
2 2
2 2
2 2 2 2
2 2
2 2 2 2 2 2 2 2 2 2
2 2
2 2 2 2
2
2 2
1 1 1
2 2 2 2
2
2
1
2
2
1
2
2
d
x x a
dx
d d
d kx d k x
dx
x x a x
x a dx
m dx m dx x a x a x a x a
k x
dx
m x a x a
a x
x x a dx d m

(
(
( + = + +
(
+ + + +
(

+
(

| |
( (
+ + +
|
(
(

( = +
+ +
(

=
(

+

\ .

( )
( )
( ) ( )
( )
( )
( )
( ) ( )
( )
( )
( )
2
2 2
2 2
2 2 2 2
2
3 2
2
2 2 2 2
2 2 2 2
2 2 2
3 3
2 2 2 2
2 2
3
2
2 2
2 2
2
1
2 2
1
2 2
2 2 2 2
2
8 2 2
1 6 2
k x
dx
x a
k x
dx
m x a x a
k x
dx
m x a
x x a x x a
x x a
x a x a
x a
k
m
x
a
x
a
a
x

( (
+ + +
( (

| |
+
|

|
+ +
\ .
(
( +
+
(

(

( = +
+ +
(

(

(
= +
(
+ +

| |

|
|
+
\ .
= +
+

( )
2
2 2
2
x
dx
x a

(
(
(
+

19
( ) ( ) ( )
( ) ( ) ( )
( ) ( ) ( )
2 2 2 2
4 4 2
2 2 2 2 2 2
2 2
2 2
4 4 2
2 2
4 4 2
2 2 2 2 2 2
2 2
2
2 2 2 2 2 2
2 1 8
2
6 2
2 2
1
2 1 2
6 2
2 2
6 2
2
1
4
2
6
2
2
2
x a k x
dx
m
x a x a x a
x a k x
dx
m
x a x a
x x
dx
x a
k
a
m m
m
dx dx
x a x a x a
a


+

| |

|
= +
|
+ + +
\ .
| |

|
= +
|
+ + +
\ .

= +

=
| |
|
|
+ + +
\ .
+ + | |

|
\ .

( ) ( ) ( )
( ) ( )
0 1 8 2 1 4
1
2
5 7
2
2
0 1 0 1 2 1 2 1
4 2
2 2 2 2 2
4 4 2
3 5 1 7 3 1
2 2 2 2
2
2
2 2
4
6
2 4
2
2
a a
a a a
m
a
k
a
k
+ +

( (
( (
( ( +
( (
( (

+ + + + | | | | | | | | | |

| | | | |
\ . \ . \ . \ . \ .

| | | | | (
(

( = +
(
(

| | | | | | |

| | | | | |
\ . \ . \ . \ . \ . \ .

( ) 2
(
(
(
(

( ) ( )
2 2
4 4
2 2 2 2
0
2
x x
dx dx
x a x a

=
+ +

20
( )
( )
5
2
2
2
5 5
2 2
5
7 1
0 1 4 3
2
2
5
2
15 3
8 2 4 2
6 6 1
0 1 0 1 1
2
1 2 2 2
2
6 2
2 2
3 5
2 8 8 2
2
2 8 4 8 4
2
k
a
m
k
m a a
k k
m a a m
a a a
a
d
a
a
a
x a a
x

+
( (
( (

= + ( (
( (
( (

( (
= +
(
+ +
| | | | |

(


( (
= + = +
(
| |
\ . \ . \
= =

+
(

( )
3 3
3
1 1 2
2 2 2 a a

| | |

| |
. \ .
= =

21
( )

( ) ( )
( )
( )
*
* 2
2 2
2
2 2
2 2
2 2 2 2
2
2 2 2
4
min min m
2
in 3 3
mi
2
n min
2
3 3
5
2
2
1 1
2 2
8 4 4 2
4 2
0
2 2
1
2 2
2
a
a
H dx H dx
E
dx dx
ka
ma
ka
E
ma
dE
ka ka a
da ma ma
d kx
dx
m dx x a x a
k
ma a
m
x
a
k
d
x a
a

(
+
(
+ +
= =

+
=
= = +
= +

= = + = =
+

22
2
2
min
2
2
min
0
0 min
2 2 2 2 4
2
2 4 2 2 8 2
4
2
4 4 1
2 2 8 2 2 2
1
0.707
2
1
0.5 0.5 0.707
2 22 2
1
k
mk k mk mk km
mk
E
m mk m mk
m
mk
km km k k k k
m m m m mk mk
k k
E
m m
h h k k k k
E
m m m m
E E
k
m

+
= + = + =
+
= = = = =
=
= = = = <
<

Ejercicio 8.4
Utilice una funcin de prueba de la forma
para calcular la energa del estado fundamental de un
oscilador, cuyo potencial .
23
2
ax
e
2
=
( )
4
x
V cx =
24
( )

2 2
4
2
2
4
2
2
2 2
4
2
*
2
2
0
*
0
2
2
ax a
a
ax
L
x
x
L
d
e cx e dx
e d
e
V x cx
d
H cx
m dx
H
m
E
x
dx

2 2
2
2

(
|
+
(
|
|

=
=

\
= +
=
.
=
|

25
| |
2
2 2 2 2
4 4
2 2 2 2 2
2 2
2
4
2 2
2
2 2 2
4
2 2
2
2
a
ax ax ax ax ax
ax ax
ax
x
ax ax
d
a
d d
e cx e dx e e cx e dx
m dx m dx
e cx e dx
m
e cx
x e
dx
d d
ax e e ax
dx m dx
2 2 2 2 2
2 2
2
2
2 2

(

(
(

(
(
+ (
(
(
(
+ = +
(
(
(

(

= + (
(

( (

= +

2
2
4
2 2
2
4
2 2
2 2
2 2
2 2
2
2
ax
ax ax ax ax
ax a ax x x a
e dx
e cx e ax ax e e d a
a x e ae
x
m
e cx e dx
m
2 2 2
2 2
2
2
2 2

(
(
(

(

( = +
(

(

=
(
| | | |
+ ( | |
| |
(
\ . \ .

(

(
+ (
( (

26
2 2
2 2
4
2 2 2 2
2 2
2 2
2 2
2 2 4
4
2
2 2
2 2
2
ax ax ax ax
ax a
ax ax
ax
x ax
ax ax
e dx e dx e cx e dx
m m
a
a x
x e dx ae dx cx e dx
m m
a a c
m
e ae
x e dx e dx x e dx
2 2
2
2 2 2 2
2 2 2
2 2

= +

= +
| |

= + +
|
\ .

( ) 2
2
1
2
2
1
0
1
2
0
1 3 5 ... 2 1
2
4
n bx
n n
bx
n
x e dx
b b
e dx
b

| |
=
|
\ .
| |
=
|
\ .

27
( )
( )
2
2
2
2
1
2
2
1
1 1
1
2
4
2
2 2 2 1
2
2
2
2
2
2
1 2
4 2 2
2
1 3 2 3 3
8 4 2
3
2
2
3
4
2
4
2
ax
ax
ax
x e dx
a
a a a a a
e dx
a a
x e dx
a
a a a a a
a a
a a c
m
a
a
a a a
a a
m
a
a
m
a
c

2
2
2

| |
| |
| = = =
|
|
\ .
\ .
= =
| |

| |
| = = =

| |

= +
|
|
\ .
| |
|
|

= +
|
|
\ .

\ .
\ .
=

2
2
2
3 1
2 4
3 1
4 4
a
c
a
a
a
c
m a
a a

+
= +

28
( )

( )
*
2
1
2
2
2
*
0
1 1
2
3 3
min
3 2 2
mi
2
2
n
2
3
4 4
3 3 4 6
0
4
3
4 4
4
2
2
2
ax
ax
a L
a
H
a c
E
m a
d
a c
m a
E
c c
e dx e dx
a
a
a
m cm
a
da m a

2
2

| |
+
|
\
| |
= = = +
|
\ .

| |
| |
= =
| | | |
= = = =
| |
\ . \
= |
|
|
.
\ .
.
.
\

29
( )
( )
( )
1 1 2
3 3 3
2 2
2 2 2
min 2 2 2
3 3 3
2 2
2
2 3
4
3 4 4
3
3 3
2 2 2 2
3
4 4
3 3
min
2 2
6 6 6
3
3 6 3
4
6 6 6
4 4
4
9 729 81
4 64 36 256
6
3 3 3 6
4 4 8
cm cm cm
c m
c cm cm
E
m
cm cm cm
m
m
c c c
c m m
cm
c c
E
m m
| | | | | |
+
| | |
+
\ . \ . \ .
= + = =
| | | |
| |
\ . \ .
= = =

= =