ISSN print edition: 0366-6352 ISSN electronic edition: 1336-9075 Registr. No.: MK SR 9/7 Published monthly

Systematic determination of the Slater-Condon parameters of atoms and ions with K(2)L(8)3s^m3pⁿ configurations

M. Liška, P. Pelikán, and L. Turi Nagy

Department of Inorganic Chemistry, Slovak Technical University, 880 37 Bratislava

Abstract: Semiempirical values of the Slater-Condon parameters F²(3p,3p) and G¹(3s,3p) for atoms from Mg to Cl with electron configuration K(2)L(8)3s^m3pⁿ were detd. from exptl. at. energy levels. The Slater-Condon parameters F⁰(3s,3s), F⁰(3s,3p), and F⁰(3p,3p) were calcd. by using the Anno electron transfer equations A⁺ + A⁺ → A + A²⁺. The obtained semiempirical values of the Slater-Condon parameters are suitable for use in semiempirical methods of calcn. of the electronic structure of mols.

Full paper in Portable Document Format: 295a577.pdf

Chemical Papers 29 (5) 577–581 (1975)