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

Dependence of spin-orbit interaction constants on electron configuration of atoms and ions

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

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

Abstract: A new method for evaluation of spin-orbit interaction consts. was used for the systematic detn. of ξp and ξd consts. from the at. spectral data of C. E. Moore (1971) for the atoms and ions from Be to Zn. The results show the significant dependence of spin-orbit interaction consts. on the electron configuration of atoms (ions). This dependence was approximated by polynomial functions of s, p, d, AO electron populations. The results may be used in semiempirical all valence (mainly ZDO) methods of quantum chem.

Full paper in Portable Document Format: 345a577.pdf

Chemical Papers 34 (5) 577–588 (1980)