CY60105: Advanced Quantum Chemistry
| CY60105 | |||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Course name | Advanced Quantum Chemistry | ||||||||||||||||||||
| Offered by | Chemistry | ||||||||||||||||||||
| Credits | 3 | ||||||||||||||||||||
| L-T-P | 3-0-0 | ||||||||||||||||||||
| Previous Year Grade Distribution | |||||||||||||||||||||
| |||||||||||||||||||||
| Semester | Autumn | ||||||||||||||||||||
Syllabus
Syllabus mentioned in ERP
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 manyparticle 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 and hybridization in simple polyatomic molecules. Elementary treatments of scattering and density functional theories Books: Methods of Molecular Quantum Mechanics by P.W. Atkins; Quantum Mechanics by I. N. Levine; Density functional theory of atoms and molecules by R.G. Parr and W.Yang; Modern Quantum Chemistry by A. Szabo and N.S. Ostlund.