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

This Letter evaluates three-body triple dipole (DDD) interactions for quasi-one-dimensional phases of He, Ne, H 2, 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 linea...

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Bibliographic Details
Published inChemical physics letters Vol. 332; no. 1; pp. 26 - 34
Main Authors Kostov, Milen K., Cole, Milton W., Lewis, John Courtenay, Diep, Phong, Johnson, J.Karl
Format Journal Article
LanguageEnglish
Published Elsevier B.V 15.12.2000
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Summary:This Letter evaluates three-body triple dipole (DDD) interactions for quasi-one-dimensional phases of He, Ne, H 2, 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 H 2 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 A ̊ . However, the DDD interaction alone is clearly insufficient for the triangular configurations studied.
ISSN:0009-2614
1873-4448
DOI:10.1016/S0009-2614(00)01245-8