10.18453/ROSDOK_ID00002653
Grell, Gilbert
Gilbert
Grell
http://d-nb.info/gnd/120892012X
Spherically symmetric continuum approach to the simulation of molecular ionization processes
Universität Rostock
2019
530 Physics
en
http://purl.uni-rostock.de/rosdok/id00002653
urn:nbn:de:gbv:28-rosdok_id00002653-2
Photoelectron and autoionization spectroscopy are widespread tools to analyze the molecular electronic structure. An unambiguous assignment of the experimental data is often only possible with support from theoretical modeling. Unfortunately, the quantum mechanical simulation of the outgoing electron is not feasible for many scientifically interesting molecules. This thesis suggests a spherically symmetric continuum orbital model that takes into account the spherically averaged molecular potential to improve the description of the outgoing electrons.