# Chem 5314 -- Graduate Physical Chemistry

Lecture notes, part 1

Lecture notes, part 2

Lecture notes, part 3

Lecture notes, part 4

Lecture notes, part 5

Lecture notes, part 6

Lecture notes, part 7

Lecture notes, part 8

Lecture notes, part 9

## Homework Assignments and Solutions

Homework #1, due Sept. 4

Homework #1 solutions

Homework #2, due Sept. 11

Homework #2 solutions

Homework #3, due Sept. 16

Homework #3 solutions

Last year's test #1

Last year's test #1 solutions

## Extra Material

Tent function fit to particle in a box eigenfunctions

Particle in box applications

Anharmonic notes 1

Morse oscillator powerpoint notes

SWNTs inside mammalian cells (Raman spectroscopy)

Bright Ideas for Chemical Biology

IR for large molecules (and Raman) notes

Indistinguishability Notes

## McQuarrie/Simon

chapter 1: background to quantum theory

Practice problems: 1-9, 1-11, 1-14, 1-25, 1-34, 1-37, 1-38, 1-39

Mathchapter A: review of complex numbers

Practice problems: A-5, A-6

chapter 2: classical waves

Practice problems: 2-5, 2-16, 2-18

Mathchapter B: probability

Practice problems: B-1, B-2, B-3, B-4, B-5

chapter 3: Schroedinger equation, particle in box (1d and 3d)

Practice problems: 3-1, 3-2, 3-3, 3-4, 3-5, 3-6, 3-7, 3-8, 3-9, 3-11, 3-12, 3-13, 3-14, 3-16, 3-17, 3-19, 3-
20, 3-21, 3-23, 3-25, 3-26, 3-27, 3-28, 3-29, 3-30, 3-35

chapter 4: theory

4.4: separation of variables to get time-independent equation

chapter 5: harmonic oscillator (center of mass coordinates), rigid rotor

chapter 6: hydrogen atom

eq. 6.1 -- potential energy

eq. 6.2 -- Hamiltonian operator

eq. 6.6 -- separation of variables is being attempted

eq. 6.8 -- radial equation

eq. 6.10 -- angular eq. : spherical harmonics

eq. 6.11 -- separation of variables for the angular part

eq. 6.20 -- phi solutions

Table 6.2 -- theta solutions

Table 6.3 -- spherical harmonics

page 206 -- energies

Table 6.5 -- atomic wavefunctions for hydrogenic atoms

page 209-210 -- "s" orbitals

page 213-218 -- "p" and "d" orbitals

Problems: 6.1, 6.3, 6.20, 6.21, 6.22, 6.23, 6.24, 6.25, 6.28, 6.29, 6.32, 6.33, 6.35, 6.36

page 323-324 -- Born-Oppenheimer approx.

page 497 -- rotational and vibrational transitions

Fig. 13.1 -- rotational/vibrational levels for a diatomic in the harmonic oscillator / rigid rotor approx. <
br>
eq. 13.11 -- selection rules in harmonic oscillator / rigid rotor approx.

Fig. 13.2 -- rotational / vibrational spectrum

Fig. 13.4 -- beyond the harmonic approx.

page 521 -- active and inactive vibrational motions

page 531-532 -- rigid rotor selection rules

page 533-534 -- harmonic oscillator selection rules

Problems: 13.1, 13.2, 13.3, 13.5, 13.7, 13.8, 13.9, 13.11, 13.12, 13.34