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arXiv · 1401.0229

CDENPROP: Transition matrix elements involving continuum states

Alex G. Harvey·Danilo S. Brambila·Felipe Morales·Olga Smirnova
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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.

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Alex G. Harvey, Danilo S. Brambila, Felipe Morales, Olga Smirnova. 2013-12-31. CDENPROP: Transition matrix elements involving continuum states. https://arxiv.org/abs/1401.0229

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