A universal potential for quasirelativistic radial orbitals

  • P. Bogdanovich
  • A. Bernotas
  • A. Rinkevičius

Abstract

A possibility to extend the universal Gáspár potential, used for obtaining the initial radial orbitals in iterative solving of quasirelativistic Hartree–Fock equations, is investigated. The extension is achieved via introduction of variable parameters instead of fixed ones that depend on the number of electrons in a configuration and the ionization degree of an atom.
Keywords: universal Gáspár potential, quasirelativistic Hartree–Fock equations, iterative process, initial radial orbitals
PACS: 31.15.Ne, 31.25.Eb, 31.30.Jv

 

Published
2009-10-02
Issue
Vol 49 No 3 (2009)
Section
Atoms and Molecules