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

TL;DR

This paper introduces a time-dependent method to simulate and analyze the kinetic energy release spectra in molecular fragmentation after electronic decay, offering deeper insights into molecular dynamics than traditional static approaches.

Contribution

The paper develops a novel time-dependent approach for modeling KER spectra in molecular fragmentation, enhancing understanding of wave packet dynamics and spectral features.

Findings

Time-resolved spectra reveal detailed molecular dynamics.

Wave packet evolution correlates with spectral features.

Method provides more insight than time-independent models.

Abstract

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.