Simulation of the influence of the core electrons by a pseudopotential I. atoms with one and two valence electrons

✍ Scribed by W. Kutzelnigg; R.J. Koch; W.A. Bingel

• Publisher: Elsevier Science
• Year: 1968
• Tongue: English
• Weight: 411 KB
• Volume: 2
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(68)85041-9

✦ Synopsis

Alkali atoms in ground and Rydberg states are treated as one-electron systems in the field of a pseudopotential of cut-off-Coulomb type. The appropriate cut-off radii are determined empiricaIt_v from the lowest ionization potentials and are compared \vith conventional ion radii. For ground states and excited states of alkaline earth atoms Hartree-Fock-calculations are performed for the two-valence-eIectron systems in the field of the pseudopotential determined from the corresponding singly positive ions. Good agreement with calculations that involve all electrons and with experiment is obtained.