Time Dependent Quantum Chemistry

In our current course curriculum, except for time-dependent perturbation theory, physical chemistry students are not introduced to the time dependent quantum chemistry at all. This creates a big knowledge gap in students working on chemical dynamics, spectroscopy, and ultrafast spectroscopy fields. Objective of this course is to fulfil the knowledge gap not only by introducing the subject to them, but also by helping them use numerical methods to practically deal with some selected time-dependent quantum chemistry problems.PRE-REQUISITE:Must have a fair idea of postulates of quantum mechanics (as given in Quantum Chemistry or Physical Chemistry book by McQuarrie).INDUSRTY SUPPORT:Industries where quantum theory is extensively used.INTENDED AUDIENCE:Physics/Chemistry UG PG students

Week 1:Introduction and the Time-Dependent Schrödinger Equation (Pure and Superposition States)Week 2:Introduction to Quantum Dynamics with Classical Mechanical Flavor (HerrinFesta Theorem and Bohmian Mechanics)Week 3:General Principles of Time-Dependent Quantum Chemistry (Time Evolution Operator, Heisenberg and Interaction pictures)Week 4:Time-Dependent Quantum Mechanics of Translational Motion and Wave packet Dynamics for free particle, linear potential and harmonic potentialWeek 5:Time-Dependent Perturbation Theory: Light-Matter Interaction with Scalar and Vector PotentialWeek 6:Time Dependent Perspective of Quantum Theory of Scattering and Chemical ReactionsWeek 7:Numerical Methods in Time Dependent Quantum Chemistry (Numerical Solution to TDSE)Week 8:Reaction Rate Processes: Transition State Theory and BeyondWeek 9:Time Correlation Function and Density Matrix FormalismWeek 10:Nonadiabatic Dynamics (Landau-Zener Dynamics, Conical Intersections, AIMS Dynamics)Week 11:AIMS Dynamics Week 12:Quantum Dynamical Processes in Chemistry