Generalized Sturmian Functions in prolate spheroidal coordinates: Continuum states

Autor: A L Frapiccini, Dario Marcelo Mitnik, Lorenzo Ugo Ancarani
Rok vydání: 2021
Předmět:
Zdroj: New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes ISBN: 9780128235461
DOI: 10.1016/bs.aiq.2021.05.002
Popis: 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.
Databáze: OpenAIRE