TY - JOUR
T1 - Many-body interactions among adsorbed atoms and molecules within carbon nanotubes and in free space
AU - Kostov, Milen K.
AU - Cole, Milton W.
AU - Lewis, John Courtenay
AU - Diep, Phong
AU - Johnson, J. Karl
N1 - Funding Information:
We are grateful to Keith Williams, Paul Sokol, Peter Eklund and Moses Chan for helpful discussions. This research has been supported by the Army Research Office under grant DAAD 19-99-0167.
PY - 2000/12/15
Y1 - 2000/12/15
N2 - 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.
AB - 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.
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U2 - 10.1016/S0009-2614(00)01245-8
DO - 10.1016/S0009-2614(00)01245-8
M3 - Article
AN - SCOPUS:0003008907
SN - 0009-2614
VL - 332
SP - 26
EP - 34
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-2
ER -