Photoelectron angular distributions from aligned molecules using the R-matrix method
Chemical Physics
2014-02-18 v1 Atomic Physics
Abstract
We present a new extension of the UKRmol electron-molecule scattering code suite, which allows one to compute ab initio photoionization and photorecombination amplitudes for complex molecules, resolved both on the molecular alignment (orientation) and the emission angle and energy of the photoelectron. We illustrate our approach using CO as an example, and analyze the importance of multi-channel effects by performing our calculations at different, increasing levels of complexity. We benchmark our method by comparing the results of our calculations with experimental data and with theoretical calculations available in the literature.
Cite
@article{arxiv.1402.3853,
title = {Photoelectron angular distributions from aligned molecules using the R-matrix method},
author = {Alex G Harvey and Danilo S Brambila and Felipe Morales and Olga Smirnova},
journal= {arXiv preprint arXiv:1402.3853},
year = {2014}
}