Subsections
[Cr:4, Lc:3, Tt:0, Lb:0]
- Two spectroscopic models: The harmonic oscillator and the rigid rotor,
description of a diatomic molecule, energy levels of a
quantum-mechanical oscillator, Hermite polynomials. The rigid rotor,
energy level of a rigid rotor, spherical harmonics, description of
hydrogen atom, Schrödinger equation for the helium atom.
- Approximation methods: Time-independent perturbation theory,
non-degenerate perturbation theory, degenerate perturbation theory,
applications, variational method and its applications, description of
helium atom using variational and perturbation method.
- Multi-electron atoms: Born-Oppenheimer approximation, symmetric and
anti-symmetric wave functions, spin orbitals and spatial orbitals,
Hartree products, Slater determinants, the Hartree-Fock approximation,
configuration interaction, the Coulomb and exchange operators, spin
adapted configurations, term symbol, description of electron
configuration, description of atomic spectra using term symbols,
Russell-Saunders coupling.
- Description of molecules: Valence bond treatment and stability of
bonds, molecular orbital theory and its applications in simple
systems, molecular orbital theory of polyatomic molecules, the concept
of delocalization, conjugated systems, butadiene.
- D. A. McQuarrie, Quantum Chemistry, 1st Ed, Viva Books, New
Delhi (2003).
- I. N. Levine, Quantum Chemistry, 5th Ed, Prentice Hall of India
(2000).
- A. Szabo, N. S. Ostlund, Modern Quantum Chemistry: Introduction
to Advanced Electronic Structure Theory, 1st Ed, Dover Publicatsions,
New York (1996).
- G. C. Schatz, M. A. Ratner, Quantum Mechanics in Chemistry, 1st
Ed, Dover Publications, New York, (2002).
