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.
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Research Article| November 21 2012
Van der Waals interactions: Accuracy of pair potential approximations
Milton W. Cole;
Milton W. Cole, Hye-Young Kim, Michael Liebrecht; Van der Waals interactions: Accuracy of pair potential approximations. J. Chem. Phys. 21 November 2012; 137 (19): 194316. https://doi.org/10.1063/1.4765328
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