Physical Chemistry II (Quantum Mechanics)

CHEM 322A/422A
Taught in
Spring 2018
Course Level
Graduate, Undergraduate
Lifelong Support

Course Description

Chemistry 321 is not a prerequisite for this class.

Students will be required not only to have taken the calculus prerequisite, but also to have a working knowledge of it. If you have problems remembering the mathematics, review it now before it becomes too late. Read ahead. Ask questions.

We will spend time in class on each chapter working on problems in groups supplied by the instructor. Participation in groups of 2-3 students is required, and 1-2 of the problems will be assigned and turned in the next class period. They will account for 11% of the final grade. (5.5% for 422)

Chem 422 students will have a short paper (5-7 pgs) on an article published in a peer-reviewed journal. The topic should be something covered in class and must meet my approval. The paper is due on the last day of classes. The course material will closely follow the text, so it is to the students’ advantage to read the text. Students should read the appropriate material before lecture.

Note: exams will closely follow homework assignments, so it is to the students’ advantage to understand the material covered in homework sets.

Lecture content

Lecture 1 Quantization of energy
Lecture 2 Wave-particle duality
Lecture 3 The Schrödinger equation
Lecture 4 Math for quantum chemistry
Lecture 5 The Born interpretation
Lecture 6 Hermitian operators
Lecture 7 The uncertainty principle
Lecture 8 The particle in a box
Lecture 9 The particle in a well
Lecture 10 The harmonic oscillator
Lecture 11 The particle on a ring
Lecture 12 The particle on a sphere
Lecture 13 Space quantization and spin
Lecture 14 Time-independent perturbation theory
Lecture 15 Time-dependent perturbation theory
Lecture 16 Tunneling
Lecture 17 Hydrogenic atoms
Lecture 18 Atomic spectra
Lecture 19 Helium and heavier atoms
Lecture 20 Spin multiplicities
Lecture 21 Spin-orbit coupling
Lecture 22 The Born-Oppenheimer principle
Lecture 23 VB theory
Lecture 24 MO theory I
Lecture 25 MO theory II
Lecture 26 Point-group symmetry I
Lecture 27 Point-group symmetry II
Lecture 28 Point-group symmetry III
Lecture 29 General theory of spectroscopies I
Lecture 30 General theory of spectroscopies II
Lecture 31 Rotational spectroscopy I
Lecture 32 Rotational spectroscopy II
Lecture 33 Vibrational spectroscopy
Lecture 34 Electronic spectroscopy
Lecture 35 Nuclear magnetic resonance

Required Text

  • Atkins and de Paula, “Physical Chemsitry”, 9th ed. ISBN-10: 9781429218122 ISBN-13: 978-1429218122
  • Heine, Joswig, Gelessus, “Computational Chemistry Workbook: Learning through Examples”. ISBN: 978-3-527-32442-2