| Many electron wavefunction, Born-Oppenheimer approximation, Hatree product, Antisymmetry and Pauli Principle, Slater Determinant, Hatree-Fock Method, Concept of Basis sets, Roothan HF, Koopmans' theorem, Pople-Nebset equation,Configuration Interaction, Many-body perturbation theory, Moller-Plesset equation, Coupled cluster theory, Density functional theory, Exchange Correlation Functional, Introduction to Classical Monte-carlo simulation, Molecular dynamics simulation, Hands on session related to quantum and classical problems. |