On the crossing of electronic energy levels of diatomic molecules at the large-D limit

Qicun Shi, Sabre Kais, Françoise Remacle, R. D. Levine

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Abstract

Intersection of electronic energies of the same space symmetry for electrons in the field of two Coulomb centers in D-dimensions were analyzed. The electronic energies were shown analytically to diverge from the point of their intersection for a one electron diatomic molecule at the large D-limit. Two electrons, where their Coulombic repulsion precluded an exact symmetry were treated in the large-D limit.

Original languageEnglish
Pages (from-to)9697-9705
Number of pages9
JournalJournal of Chemical Physics
Volume114
Issue number22
DOIs
Publication statusPublished - 8 Jun 2001
Externally publishedYes

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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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