CHEMISTRY 356 - Quantum Chemistry I

LECTURES   Fall 2013: Mon ,Wed ,Fri @ 9:30-10:20 in EV1-132 and Fri @ 13:30-14:30 in QNC-1506 
Tong Leung  Office: C2-066A (Tel: 519-888-4567 ext. 35826) or Labs: C2-059-066, 080 (ext. 36827).  E-mail: tong@uwaterloo.ca. Available any time or make appointment by e- or voice-mail.  Website: http://leung.uwaterloo.ca

REFERENCES  Course and exam materials will be based primarily on lecture notes given in class. The following textbooks are intended as references only.
1.   D.A. McQuarrie and J.D. Simon, "Physical Chemistry – A Molecular Approach", University Science Books, Sausalito (1997) - [Recommended text for three "core" physical chemistry courses: Quantum Chemistry, Thermodynamics, Spectroscopy]  On Reserve, QD453.2M394
2.   D.A. McQuarrie, "Quantum Chemistry", University Science Books, Mill Valley (1983)  On Reserve, QD462.M265x [Text used for Chem 256 since the beginning of Time]
3.   I.N. Levine "Quantum Chemistry", 4th ed., Prentice Hall, Toronto (1991)  On Reserve, QD462.L47
4.   L. Pauling and E.B. Wilson, Jr., "Introduction to Quantum Mechanics - With Applications to Chemistry", McGraw-Hill, New York (1935)  On Reserve, QC174.1.P38

HOMEWORK and MARKS

EFFORT including class attendance; FOUR-SIX Problem Sets, plus (bi-weekly) reading assignments

25 %

TWO 50-minute Term Tests

25 ± 10 %

ONE Final Exam

50 ± 10 %

Total

100 %

 

 

 

COURSE OUTLINE

WEEK

REF.  (1)

TARGETED TOPICS

1

Ch. 1

OPENER: Scope and course orientation
Why quantum mechanics?

2

Ch. 2-4

Postulates in quantum mechanics
Schrödinger equation; wavefunction and probability
Operators and observables

3

 

Commutators
Example: The "free" particle

4

 

Principles in quantum mechanics
Uncertainty principle
Exclusion principle

5

 

Applications to "solvable" problems: Particle-in-a-box

6

Ch. 5

Harmonic oscillator, and its application to vibration spectroscopy

7

 

Rigid rotator, and its application to rotational spectroscopy

8

 

More on angular momenta: orbital and spin angular momenta

9

Ch. 6

Summary of the central force problem: General case
The Hydrogen Atom
The periodic table and atomic term symbols

10

Ch. 7-8

Many-body systems: He and H2
Introduction to appoximation methods
Variational method

11

 

Time-independent perturbation method

12

Ch. 9-11

Introduction to Chemical Bonding
WRAP-UP