Found 2 records with CourseId:10265 in academic section database. Picking the first.

Course Name: CY5018 : Quantum Chemistry & Group Theory

Description: Born-Oppenheimer approximation, hydrogen molecule ion, hydrogen molecule: valence bond and molecular orbital methods: Detailed calculations for energies and overlaps. Polyatomic molecules and hybridisation. Conjugated pi-systems and Huckel theory, frontier orbital theory, configuration interaction. Hartree-Fock method, self-consistent field method and derivation of Hartree-Fock, Roothaan Equations. Polyatomic basis sets, Gaussian, double-zeta and polarized basis sets, population analysis and dipole moments. The Thomas-Fermi model of the atom. The metallic bond. Bloch theory, free electron and tight binding model. Effective crystal field Hamiltonian: Steven's equivalent operator method. Electric and magnetic properties of molecules. Introduction to multipole expansion, dipole moments, static polarizability and hyperpolarizability, magnetic susceptibility, vector functions and vector potential: shielding constants, spin-spin coupling and hyperfine interactions. The concept of groups, symmetry operations an

Slot: D

RoomNo: CB310

Instructor: Sanjay Kumar

Period: JAN-MAY 2013

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