Generalized Sturmian Functions in prolate spheroidal coordinates: Continuum states
NEW ELECTRON CORRELATION METHODS AND THEIR APPLICATIONS, AND USE OF ATOMIC ORBITALS WITH EXPONENTIAL ASYMPTOTES（2021）
Abstract
We propose and implement a spectral approach to describe continuum states of diatomic systems. The method is based on Generalized Sturmian Functions in prolate spheroidal coordinates. With the one-electron dihydrogen cation as an example, we demonstrate the numerical efficiency by calculating photoionization cross sections.
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Key words
prolate spheroidal coordinates,generalized sturmian functions,continuum states
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