- Introduction to Electronic Structure: Hartree and Hartree-Fock method, Roothaan and Pople-Nesbet equations, Self-consistency, Koopmans theorem, Semiempirical methods, Hckel and Extended Hckel theory, Second quantization.
- Correlated Methods: Configuration Interaction, Mller-Plesset Perturbation theory,
Coupled cluster theory, Density matrices and operators, Exchange-correlation hole and functionals, Thomas-Fermi-Dirac-Weiszcker theory, Mapping between electron density and potential, Introduction to density functional theory, Hohenberg-Kohn-Sham theory, Local-density approximation, Generalized gradient approximation.
- Group Theory in Chemistry: Symmetry operations, Properties of groups, Point groups, Generating elements of a group, Elementary theory of representation of groups, Transformation operators, Function space, Equivalent, reducible and irreducible representation, Character table, Grand orthogonality theorem, Reduction of irreducible representations, Group-subgroup relation, Direct product representation, Representation and quantum mechanics, Vanishing of quantum mechanical integrals.
- Applications of Group Theory: Applications to bonding, structure, spectroscopy, reactivity; Symmetry-adapted LCAO-MOs of small and medium-size molecules (e.g., AH$_3 $, benzene, CO$_2 $, MX$_n $, etc.), Correlation diagrams, Vibrational modes, Selection rules, Jahn-Teller distortion and other crystal fields, MO approach to bonding in complexes, Splitting of terms, Electronic spectra of transition metal complexes.
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