CDENPROP: Transition matrix elements involving continuum states
Chemical Physics
2014-01-03 v1
Abstract
Transition matrix elements between electronic states where one electron can be in the continuum are required for a wide range of applications of the molecular R-matrix method. These include photoionization, photorecombination and photodetachment; electron-molecule scattering and photon-induced processes in the presence of an external D.C. field, and time-dependent R-matrix approaches to study the effect of the exposure of molecules to strong laser fields. We present a new algorithm, implemented as a module (CDENPROP) in the UKRmol electron-molecule scattering code suite.
Keywords
Cite
@article{arxiv.1401.0229,
title = {CDENPROP: Transition matrix elements involving continuum states},
author = {Alex G. Harvey and Danilo S. Brambila and Felipe Morales and Olga Smirnova},
journal= {arXiv preprint arXiv:1401.0229},
year = {2014}
}