Subject Code: CY7L023 Subject Name: Advanced Quantum Chemistry L-T-P: 3-0-0 Credit: 3
Prerequisite(s): Nil
Approximate methods of quantum chemistry: variational principle; LCAO approximation; Huckel Theory; Time-independent perturbation theory. Many electron atoms: Orbital approximation, Slater determinant; Hartree-Fock selfconsistent field theory; Slater type orbitals. Angular momentum of many-particle systems. Spin orbital interaction; LS and JJ coupling. Spectroscopic  term symbols for atoms. Molecules and Chemical bonding: Born-Oppenheimer approximation, MO and VB theories illustrated with H2-molecule; Spectroscopic term symbols for diatomics; Directed valence & hybridization in simple polyatomic molecules. Elementary treatments of scattering and density functional theories.
Text/ Reference Books:
  1.  Atkins P. W. Methods of Molecular Quantum Mechanics.
  2. Levine I. N. Quantum Mechanics.
  3. Parr R. G.  and Yang W. Density functional theory of atoms and molecules.
  4. Szabo A., and Ostlund N. S. Modern Quantum Chemistry, Dover Publications.