An overlap expansion method for improving ab initio model potentials: Anisotropic intermolecular potentials of N2, CO, and C2H2 with He*(23S)

Satoshi Maeda, Masakazu Yamazaki, Naoki Kishimoto, Koichi Ohno

Research output: Contribution to journalArticlepeer-review

18 Citations (Scopus)

Abstract

An overlap expansion (OE) method for improving intermolecular interaction potentials was proposed. Correction terms were introduced as a linear combination of squares of overlap integrals between interacting species, in order to include highly anisotopic interactions intrinsic to the molecular systems. As such, the present OE method was applied to improve crude potentials for intermolecular interactions between a molecule and a metastable atom.

Original languageEnglish
Pages (from-to)781-790
Number of pages10
JournalJournal of Chemical Physics
Volume120
Issue number2
DOIs
Publication statusPublished - 2004 Jan 8

ASJC Scopus subject areas

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

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