Details of CH3103 (Autumn 2018)

Level: 5 Type: Theory Credits: 4.0

Course CodeCourse NameInstructor(s)
CH3103 Quantum Chemistry II Ashwani Kumar Tiwari

Syllabus
1. Hydrogen Atom: Power-series solution and Ladder Operator Approach.
2. Variational Methods: Proof of theorem, linear variation method, variational treatment of Helium atom.
3. Perturbation Theory: First and second order corrections to wave function and energy for non-degenerate states, perturbation theory for degenerate energy level, application of perturbation theory to Helium and Lithium atoms, time-dependent perturbation theory.
4. Many-Electron atoms: Concept of spins, Pauli-exclusion principle, Slater determinants, Hartree-Fock for atoms, Concept of electron correlations, Term Symbols.
5. Molecules: BO approximation, concepts of adiabatic and non-adiabatic approximations, VB and MO methods, solutions for H2 and H2+ molecules, Term symbol for diatomic molecules.
6. TDQM and Reaction Dynamics: Introduction to transition state and quantum dynamical theories for reaction dynamics.

References
1. Quantum Chemistry by I. N. Levine, Prentice-Hall, New Jersey, (2000).
2. Quantum Mechanics by D.W. McQuarrie, Oxford University Press, Oxford, (1983).
3. Molecular Quantum Mechanics by P.W. Atkins and R. S. Friedman, Oxford University Press, Oxford, (1996).

Course Credit Options

Sl. No.ProgrammeSemester NoCourse Choice
1 IP 1 Core
2 IP 3 Not Allowed
3 IP 5 Not Allowed
4 MR 1 Not Allowed
5 MR 3 Not Allowed
6 MS 5 Core
7 RS 1 Not Allowed
8 RS 2 Not Allowed