Kinetic Energy Release in Fragmentation Processes following Electron Emission: A time dependent approach

A time-dependent approach for the kinetic energy release (KER) spectrum is developed for a fragmentation of a diatomic molecule after an electronic decay process, e.g. Auger process. It allows one to simulate the time-resolved spectra and provides more insight into the molecular dynamics than the time-independent approach. Detailed analysis of the time-resolved emitted electron and KER spectra sheds light on the interrelation between wave packet dynamics and spectra.
Comment: This article has been modified and the newest version can be found in (J. Chem. Phys. 136, 114111 (2012)) at (http://link.aip.org/link/?JCP/136/114111). Copyright (2012) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics