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arXiv 2013-12-31 0 views

CDENPROP: Transition matrix elements involving continuum states

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

Original · EN

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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