Van der Waals interactions: Accuracy of pair potential approximations

Milton W. Cole, Hye Young Kim, Michael Liebrecht

Research output: Contribution to journalArticle

4 Scopus citations

Abstract

Van der Waals interactions between single atoms and solids are discussed for the regime of large separation. A commonly employed approximation is to evaluate this interaction as a sum of two-body interactions between the adatom and the constituent atoms of the solid. The resulting potentials are here compared with known results in various geometries. Analogous comparisons are made for diatomic molecules near either single atoms or semi-infinite surfaces and for triatomic molecules' interactions with single atoms.

Original languageEnglish (US)
Article number194316
JournalJournal of Chemical Physics
Volume137
Issue number19
DOIs
StatePublished - Nov 21 2012

All Science Journal Classification (ASJC) codes

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

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