Chem 5314 -- Graduate Physical Chemistry

Syllabus

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. 13
Homework #1 solutions
Homework #2, due Sept. 20
Homework #2 solutions
Test #1 solutions
Homework #3, due Oct. 13
Homework #3 solutions
Test #2 solutions
Homework #4, due Nov. 3
Homework #5, due Nov. 10
Homework #4 solutions
Homework #5 solutions
Test #3 solutions
Homework #6, not for credit
Homework #6 solutions

Test 1 covered up to (and including) particle-on-a-ring. Test 2 will cover the new material we have done since then:
-harmonic oscillator (pg. 157-173)
-integration by parts
-orthogonality and the concept of a basis (pg. 127-130)
-expectation values (pg. 86-90)
-correspondence principle (pg. 85-86, Fig. 5.11 on pg. 186)
-operators and eigenfunctions/eigenvalues (pg. 77-79, 118-124)
-variance and standard deviation
-central force TISE (Chapter 6)
-spherical harmonics (pg. 193-198)
-radial wavefunction (pg. 206-213)
-Hamiltonian for a molecule and the "frozen nucleus" approach to solving it (pg. 219)

Test #2 practice problem

Test #2 practice problem solution


Stern Gerlach slides

Superposition states in photosynthesis

Superposition states in photosynthesis

Particle in box applications
Tent function fit to particle in a box eigenfunctions

Postulates of Quantum Mechanics

Central force problem using spherical polar coordinates

Anharmonic notes 1
Anharmonic notes 2


Mathematica tutorial
Quantum Dots
Particle in box applications
Postulates of Quantum Mechanics
IR for large molecules (and Raman) notes
Bright Ideas for Chemical Biology
SWNTs inside mammalian cells (Raman spectroscopy)
Bonding slides
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