A comparison of different propagation schemes for the time dependent Schrödinger equation (Q808205)

A comparison of three widely used time propagation algorithms for the time-dependent Schrödinger equation is presented. A typical evolution problem is chosen to demonstrate the efficiency and accuracy of the various methods on a numerical grid using a spatial representation for scattering and bound state evolution. A new method is also introduced which is based upon a low-order Lanczos technique. This method appears to offer an accurate and flexible alternative to the existing algorithms.