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One-electron model generated by a partition of 1/r12: Application to the structure of the periodic table

✍ Scribed by I. Exman; J. Katriel; R. Pauncz

Publisher: Elsevier Science
Year: 1975
Tongue: English
Weight: 430 KB
Volume: 36
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(75)87006-0

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✦ Synopsis

Oneand &o-center expzndons of I/r,, in terms of one-electron variables can be partitioned into a constant km, oneelectron terms and two-electron terms. Preliminary calculations for light atoms and for the hydrogen molecule show that the orx-clcctron terms (including the constat) contribute most of the inter-electronic repulsion energy. This sugests a oxelectron model of atomic structure. Application of this model reveals unexpecied qeement with experimdnm nZultS XJIIcemin,o the orbital energies of moderate size atoms.

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