Many-body interactions among adsorbed atoms and molecules within carbon nanotubes and in free space

Milen K. Kostov, Milton W. Cole, John Courtenay Lewis, Phong Diep, J. Karl Johnson

Research output: Contribution to journalArticle

48 Scopus citations

Abstract

This Letter evaluates three-body triple dipole (DDD) interactions for quasi-one-dimensional phases of He, Ne, H2, Ar, Kr and Xe confined within a bundle of nanotubes. We find a significant reduction in the pair potential well depth due to the DDD effect. We carry out ab initio calculations on linear and equilateral configurations of the H2 trimer and find that overlap interactions do not greatly change the DDD interaction in the linear configuration when the spacing is greater than about 3 Å. However, the DDD interaction alone is clearly insufficient for the triangular configurations studied.

Original languageEnglish (US)
Pages (from-to)26-34
Number of pages9
JournalChemical Physics Letters
Volume332
Issue number1-2
DOIs
StatePublished - Dec 15 2000

All Science Journal Classification (ASJC) codes

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

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