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Dependence of Slater-Condon parameters on electron configuration. IV. Atoms and ions with electron configurations K(2)L(8)3sm3pn

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

Institute of Experimental Pharmacology, Slovak Academy of Sciences, 881 05 Bratislava

 

Abstract: Approx. relations for the dependence of the Slater-Condon parameters of atoms and ions of the third period on their electron configuration are proposed here. The obtained relations are useful in semiempirical methods of quantum chem. They allow the extension of the parametrization of methods including the dependence of individual semiempirical integrals on electron configuration of atoms in mols. on a no. of systems of chem. importance contg. atoms of the third series.

Full paper in Portable Document Format: 325a616.pdf

 

Chemical Papers 32 (5) 616–623 (1978)

Wednesday, May 29, 2024

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