Slater—Condon Parameters from Spectral Data

Slater—Condon parameters have been fitted by least-squares methods, as far as spectroscopic data are available, for all the neutral atoms of the first three periods of the periodic system, and for their isoelectronic mono-positive ions, and for the isoelectronic di- and tri-positive ions of the firs...

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Veröffentlicht in:Journal of Chemical Physics (U.S.) 1963-04, Vol.38 (8), p.1834-1847
Hauptverfasser: Hinze, Jürgen, Jaffe, H. H.
Format: Artikel
Sprache:eng
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Zusammenfassung:Slater—Condon parameters have been fitted by least-squares methods, as far as spectroscopic data are available, for all the neutral atoms of the first three periods of the periodic system, and for their isoelectronic mono-positive ions, and for the isoelectronic di- and tri-positive ions of the first two periods. Separate evaluations were performed for each configuration, and for pooled data from all configurations. It is concluded that the approximations involved in the Slater—Condon method are at least as serious as the further approximations introduced by pooling of data from several configurations.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1733882