Lecture

Time-Dependent Schrödinger Equation: Basis Set Solutions

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In course

CH-453: Molecular quantum dynamics

The course covers several exact, approximate, and numerical methods to solve the time-dependent molecular Schrödinger equation, and applications including calculations of molecular electronic spectra. More advanced topics include introduction to the semicl ...

Description

This lecture covers the basis set solutions of the time-dependent Schrödinger equation (TDSE) with a time-dependent Hamiltonian, focusing on the interaction with molecular systems and external fields. The instructor explains the process of solving the TDSE with the Hamiltonian operator, introducing an ansatz for the wavefunction and substitution into the TDSE. Special cases involving Gaussian wave packets, multiple-spawning, and coupled coherent states are also discussed.

Instructor

Jiri Vanicek

Teaching & PhD PhD Students Liam Oliver Marsh, Yeha Lee, Davide Barbiero, Yannick Calvino Alonso, Manas Nagda Past EPFL PhD Students Cesare Mollica, Ray Marcel Marin Florez, Marius Wehrle, Aurélien Patoz, Konstantin Karandashev, Tomislav Begusic, Julien Roulet, Seonghoon Choi, Roya Moghaddasi Fereidani, Zhan Tong Zhang, Eriks Kletnieks, Alan Scheidegger, Fabian Kröninger Courses Mathematical methods in chemistry CH-250 This course consists of two parts. The first part covers basic concepts

Official source

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