Desorption induced by electronic transitions studied with a time-dependent quantum mechanical method

Abstract

We have used the split time operator FFT method to describe a DIET (desorption induced by electronic transitions) process of the Menzel-Gomer-Redhead type. H+ desorbing from a tungsten surface is described, in a one-dimensional picture, with the time dependent Schrödinger equation and a complex potential. The imaginary potential part corresponds to decay processes. We have also compared results of the split time operator method with results of an analytical semiclassical method described by Schuck et al. [Z. Phys. B 46 (1982) 137]. These results seem to indicate that the split operator method, at least in the case concerning decay rates, is a better tool for studying DIET models than a semiclassical method.