Tutorial: Determining Symmetry & Calculating Energy in 1D Harmonic Oscillator, Study Guides, Projects, Research of Physical Chemistry

This tutorial provides instructions on determining the symmetry of the spatial and spin parts of functions in quantum mechanics. It also includes an exercise on calculating the energy of a one-dimensional harmonic oscillator using the given trial function and the hamiltonian.

Typology: Study Guides, Projects, Research

2014/2015

Uploaded on 06/04/2015

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Tutorial 02 April
(a)
1 0 0
1 0 1 0 1 1 1 0
0 1 1
TTT
(b)
2
2
22
ˆ ˆ ˆ ˆ ˆ ˆ
[ , ]
0 1 0 0
ˆˆ 1 0 0 0
2 2 4
0
ˆˆ 0
4
2 0 1 0
2
ˆ ˆ ˆ ˆ ˆ
0 2 0 1
44
x y x y y x
xy
yx
x y y x z
s s s s s s
ii
ss ii
i
ss i
ii
s s s s i s
i




(c) Similarly
(d)
1 0 1 1
ˆ0 1 0 0
2 2 2
1 0 0 0 0
ˆ0 1 1 1 1
2 2 2 2
z
z
s
s





, etc
(e) Similarly
pf2

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Tutorial 02 April

(a)      

T T T

(b)

2

2

2 2

[ ˆ^ , ˆ^ ] ˆ ˆ^ ˆ ˆ

x y x y y x

x y

y x

x y y x z

s s s s s s

i i s s i i

i s s i

i (^) i s s s s i s i

 ^    

(c) Similarly

(d)

z

z

s

s

 ^       

, etc

(e) Similarly

Each function has two parts, a spatial and a spin part. Determine the symmetry for each part. IF (+)

means symmetyc, and (-) means anti-symmetric, then (+)(+) = (+), (+) (–) = (–) and (–)(–) = (+). This

results in a (–), b(+), c(+), d(–) and e (neither)

Extra question

A researcher explores the trial function

2 ( )

x x e

 ψ  to calculate the energy of the one-dimensional

harmonic oscillator subject to the condition that V(x) = 0, i.e. the Hamiltonian is

2 2

2

d H m dx

(i) Derive an expression for the expectation value (average value) of the energy, E.

(ii) Assuming that  = n ( n -1), for which value of n will the energy, E , have its lowest value?

(i)

2

2 2

1/

1/ 2

2

E

m

x

E

m

ψ(x)|H|ψ(x) ψ(x)|ψ"(x)

ψ(x)|ψ(x) ψ(x)|ψ(x)

ψ"(x) ψ(x)

ψ(x)|ψ"(x)

ψ(x)|ψ(x)

(ii) Set

2

  n  n , then calculate 0

E

n

, and solve for n. This gives n = ½.