Average local electrostatic potential and the core-valency separation in atoms

The average local electrostatic potential function, V(r)/ ρ(r), is calculated for 87 atoms, Li‐Ac, in the ground state using the nonrelativistic average‐over‐configuration numerical Hartree‐Fock density. It is found empirically that in a given atom the shell boundaries are expressed as the successiv...

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Veröffentlicht in:	International journal of quantum chemistry 1995-11, Vol.56 (4), p.399-408
Hauptverfasser:	Sen, K. D., Gayatri, T. V., Krishnaveni, R., Kakkar, M., Toufar, Helge, Janssens, Geert O. A., Baekelandt, Bart G., Schoonheydt, Robert A., Mortier, Wilfried J.
Format:	Artikel
Sprache:	eng
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