- Review of hydrogen atom (ladder operators)
- Approximate methods: Time-independent and time-dependent perturbationtheories; the variation principle for ground and excited states. Linear variation method, MO theory,VB theory, Hckel -electron MO theory.Hartree, Hartree-Fock and Hartree-Fock-Roothaan methods.Exchange, anti-symmetry and determinantal wave functions.Introduction to Electron correlation.Born-Oppenheimer approximation; adiabatic and non-adiabatic approximations.Introduction to Semi-empirical methods.
- Time-dependent quantum mechanics and Reaction Dynamics: Transition state theory; standard derivations, dynamical correction factors, quantum mechanical corrections and applications of transition state theory. Time-development operator; reaction Cross-sections and rate constants,general topology of potential energy surfaces.Adiabatic and non-adiabatic quantum dynamics for triatomic systems.Single atom or molecule in time-dependent external intenseelectric and/or magnetic fields; non-perturbative approaches. Femtosecond and attosecondultrafast,multi-photon phenomena.
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