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

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
36
Issue
2
Identifiers
DOI: 10.1016/0009-2614(75)87006-0

Abstract

Abstract One- and two-center expansions of 1/ r 12 in terms of one-electron variables can be partitioned into a constant term, one-electron terms and two-electron terms. Preliminary calculations for light atoms and for the hydrogen molecule show that the one-electron terms (including the constant) contribute most of the inter-electronic repulsion energy. This suggests a one-electron model of atomic structure. Application of this model reveals unexpected agreement with experimental results concerning the orbital energies of moderate size atoms.

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