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Titre du document / Document title

The Löwdin challenge: Origin of the n + l, n (Madelung) rule for filling the orbital configurations of the periodic table

Auteur(s) / Author(s)

ALLEN Leland C. ; KNIGHT Eugene T. ;

Résumé / Abstract

The periodic table may be viewed as an s-block and p-block framework internally perturbed by it and f electrons. A perturbation operator is devised to search the table for small energy changes and to locate the d- and f-blocks. The unusually large s/d and s/f radial extent ratios are discussed and related to the unexpected order of ns and (n - 1)d occupancy and to the charge transfer from to d orbitals that occurs in transition metal complexes. The orbitals and their properties, obtained from Desdaux's 1973 Fock-Dirac neutral atom calculations for Z = 1-118, are employed to verify our analysis.

Revue / Journal Title

International journal of quantum chemistry    ISSN  0020-7608   CODEN IJQCB2 

Source / Source

2002, vol. 90, no1, pp. 80-88 [9 page(s) (article)]

Langue / Language

Anglais

Editeur / Publisher

John Wiley & Sons, New York, NY, ETATS-UNIS  (1967) (Revue)

Localisation / Location

INIST-CNRS, Cote INIST : 13624, 35400010921105.0090

Nº notice refdoc (ud4) : 13896574



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