Mathematical and Computational Methods in Quantum Chemistry

A Numerical Algorithm for Semiclassical Dynamics in Several Space Dimensions

George Hagedorn

Virginia Tech


We present techniques for solving the time-dependent Schrödinger equation for small values of the Planck constant and/or fairly high space dimensions. The ideas follow the algorithm of Faou, Gradinaru, and Lubich, but use a new technique to avoid an unstable part of the computation.