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26491797 457454 Physical Chemistry Quantum Chemistry[1]

# 26491797 457454 Physical Chemistry Quantum Chemistry[1]

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Published by: rajasebastian on May 21, 2011

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02/12/2013

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The primary method of measuring the energy levels of a material is through the
use of electromagnetic radiation.

Experiments involving electromagnetic radiation—matter interaction are called
spectroscopies.

Atoms and molecules absorb or emit light only at speciﬁc (quantized) energies.

These speciﬁc values correspond to the energy level dierence between the initial
and ﬁnal states.

42

Key Equations for Exam 1

Listed here are some of the key equations for Exam 1. This section should not
substitute for your studying of the rest of this material.

The equations listed here are out of context and it would help you very little to
memorize this section without understanding the context of these equations.

The equations are collected here simply for handy reference for you while working
the problem sets.

Equations

The short cut for getting the normalization constant (1D, see above for 3D).

N =

sZspaceunnorm(x)|2

dx.

(5.9)

The normalized wavefunction:

ψnorm = 1

unnorm.

(5.10)

The Schrödinger equation (which should be posted on your refrigerator),

ˆ = Eψ.

(5.11)

43

43

The Schrödinger equation for 1D problems as a diﬀerential equation,

−~2
2m d2

dx2ψ + (V(x)−E)ψ = 0.

(5.12)

How to get the average value for some property (1D version),
hˆαi = Zspaceψ∗ˆαψdx.

(5.13)

The momentum operator

ˆpx =−i~

∂x.

(5.14)

Normalized wavefunctions for the 1D particle in a box,

ψn(x) =

r2

a sin nπx

a .

(5.15)

The energy levels for the 1D particle in a box,

En = n2

π2

~2
2ma2

~= h
2π

= n2

h2
8ma2.

(5.16)

The energy level spacing for the 1D particle in a box,
4E = (2n+ 1) h2

8ma2

(5.17)

The wavefunctions for the harmonic oscillator are

ψn(y) = AnHn(y)ey2

2 , y = µkm

~2

1
4

x, An = 1

p2nn!√π, (5.18)

where An is the normalization constant for the nth

eigenfunction and Hn(y)

are the Hermite polynomials.

The energy levels are

En = (n+ 1

2)~ω, ω =

r k
m

(5.19)

44

Part II

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