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CDENPROP: Transition matrix elements involving continuum states
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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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Cited by 1 Pith paper
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UKRmol+: a suite for modelling of electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method
UKRmol+ reengineers the UK molecular R-matrix codes with optional B-spline continuum functions, MPI parallelization, and photoionization and RMT interfaces, and demonstrates the new capabilities on electron, positron,...
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