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. 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

Postulates of Quantum Mechanics



central force notes

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