
[Dr. Jayandren Rasaiah] Course Offerings  (Schedule Variable)
Principles of Quantum Chemistry:
Quantum Mechanics (CHY 475 / 575)
(3 Credit Hours)
This is an introductory undergraduate / graduate level course in quantum mechanics with applications to omputational aspects of molecular quantum chemistry.
Syllabus
 Introduction to Quantum theory: Black body radiation, Photoelectric effect, Bohr theory, de Broglie hypothesis, particle in a box, symmetry and degeneracy, the uncertainty principle
 Classical mechanics, Conservative systems, Harmonic oscillator, Angular momentum. Lagrangian and Hamiltonian dynamics, Poisson Brackets, Virial theorem, The principle of least action. Path integral formulation of quantum mechanics.
 Foundations of Quantum mechanics. Hermitian Operators, Postulates of Quantum mechanics, the Schrodinger equation, Time evolution and conservation laws, the Heisenberg picture, HellmanFeynman theorem, the virial theorem.
 Solutions to Schrodinger equation for a particle in a box and the linear harmonic oscillator. Barrier penetration, Wave packets, the double harmonic oscillator.
 Orbital angular momentum. The Rigid rotor, Hydrogen atom, Spin angular momentum. Addition of angular momenta. ClebschGordon coefficients.
 Approximation methods. Perturbation theory for degenerate and non degenerate systems. Applications.
 Time dependent perturbation theory. Fermi's Golden rule. Rabi formula
 Variation method, linear variation method. Applications.
 Hydrogen molecule ion.
 Molecular orbital theory
 Calculation of electronic structure. HartreeFock self consistent fields. Electron correlation. Density functional theory
Texts
 Molecular Quantum Mechanics Third edition P. W. Atkins and R. S. Friedman, Oxford
 Lecture Notes on Quantum Mechanics  J. C. Rasaiah
 Mathematics for Quantum Chemistry Jay Martin Anderson , W.A.Benjamin
 Computational Quantum Chemistry by A. Hinchliffe: John Wiley
References
 Quantum Mechanics P.C.W. Davies and D. S. Betts, second edition Chapman and Hall
 Quantum Chemistry by D. McQuarrie University Science Books.
 Quantum Chemistry by I. Levine. Prentice Hall
 Introductory Quantum Mechanics by R. L. Liboff, Addison Wesley