Chapter Eleven - Generalized Sturmian Functions in prolate spheroidal coordinates: Continuum states

D MITNIK; A L FRAPICCINI; L U ANCARANI

New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes

Elsevier

Año: 2021; p. 239 - 253

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.