CH 231 |
Introduction to Quantum Chemistry |
3-0-0-6 |
Syllabus: The motivation for Quantum mechanics: Historical background,
postulates and general principles of quantum mechanics; Operators and their
properties; Schrodinger equation, its application on some model systems :
free-particle and particle in a box (1D and 3D), tunneling,
the harmonic oscillator, the rigid rotator, and the hydrogen atom;
Approximate methods; The variation theorem; Linear variation principle;
Perturbation theory; Applications of variationalmethods
and perturbation theory to the helium atom; Angular momentum: Eigenfunctions and eigenvalues of angular
momentum operator, Ladder operator, addition of angular momenta;
Spin- Pauli Exclusion Principle; Slater determinants; Term symbol
(RS and jj coupling) and spectroscopic
states, spin-orbit coupling and Zeeman splitting; Virial theorem;
Born-Oppenheimer approximation; VB and MO theory, Application to H2+,
H2 molecule; Huckel molecular
orbital theory and its application to ethylene, butadiene and benzene;
Hybridization and valence MOs of some simple molecules. Texts: 1.
P. W. Atkins and R. S. Friedman, Molecular Quantum Mechanics, 3rd Ed.,
Oxford University Press,1997. 2.
D. A. McQuarrie, Quantum Chemistry,
Viva Books, 2003 References: 1.
I. N. Levine, Quantum Chemistry, Prentice Hall, 2003 2.
F. L. Pilar, Elementary Quantum
Chemistry, 2nd Ed., Dover Publications, Inc. NY, 1990. |