Proposed modification of the criterion for the region of validity of the inverse-power expansion in diatomic long-range potentials

Bing Ji, Chin Chun Tsai, William C. Stwalley

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54 Citations (Scopus)

Abstract

A modified internuclear distance criterion, RLR-m, as the lower bound for the region of validity of the inverse-power expansion of the diatomic long-range potential is proposed. This new criterion takes into account the spatial orientation of the atomic orbitals while retaining the simplicity of the traditional Le Roy radius, RLR for the interaction of S state atoms. Recent experimental and theoretical results for various excited states in Na2 suggest that this proposed RLR-m is an appropriate generalization of RLR.

Original languageEnglish
Pages (from-to)242-246
Number of pages5
JournalChemical Physics Letters
Volume236
Issue number3
DOIs
Publication statusPublished - 1995 Apr 13

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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