CHEMISTRY 867:  Advanced Theoretical Chemistry

Professor:  Dr. Allan East
Room RI312

This course extends upon the introductory quantum mechanics that you learned as an undergraduate.  Conceptually, quantum mechanics describes chemistry at the molecular ("microscopic") level, while statistical mechanics provides the link between the microscopic and bulk ("macroscopic") levels.  Hence, these two theories together can provide descriptions of bulk properties of materials.  This course will touch only on gas-phase properties -- solids and especially liquids are more complicated and would require further study.  We will spend roughly 1 month on each of the following sections:

Part A: Statistical Mechanics

Read the first 6 chapters of McQuarrie's Statistical Mechanics (108 pages).
Do questions from the back of the book.

Part B: Electronic Structure Theory

Read from chapters 13-17 of Levine's Quantum Chemistry (93,21,146,67,17 pages).
Do questions from the back of the book.

Part C: Molecular Vibration and Rotation

Read from chapters 4,11,12,16,17 of Graybeal's Molecular Spectroscopy (17,31,21,72,26 pages).
Do questions from the back of the book.

Grading evaluation:  Done via 6 two-week problem sets, all equally weighted.  There are no lectures, as the student is responsible for learning from the textbooks.  However, weekly meetings with the professor are likely, to (i) assist in the learning of the material, (ii) monitor progress, and (iii) offer feedback on the graded problem sets.