Chemical Physics Letters, Vol.361, No.1-2, 15-20, 2002
The wave packet propagation using wavelets
We compare Fourier grid and wavelet transform based methods for numerical propagation of a 1D electronic wave packet using the split-operator technique. It is demonstrated that the wavelets can be used to considerably speed up simulations of wave packet propagation in multiscale systems. Extremely high efficiency can be obtained in the representation of both bound and continuum states. (C) 2002 Elsevier Science B.V. All rights reserved.