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The Gordon-Kim local density method is applied to the calculation of the interaction energy of pairs of neon, argon, and krypton atoms adsorbed on the basal plane of graphite. At the adatom-surface equilibrium separation.the adatom-adatom interaction potentials are found to be from 12% to 20% more repulsive than the gas phase counterparts. At much smaller adatom-surface separations. the adatom-adatom effective potential well depth is only 3% of the gas phase well depth. It is found that the nonadditive contributions to the interaction energy are more important for the smaller rare gas adatoms than for the larger ones. This trend is observed experimentally. It is concluded that rare gas films on graphite are too mobile to be in registry with the substrate.

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© 1975 American Institute of Physics.This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in D.L. Freeman, “The Interaction of Rare Gas Atoms with Graphite Surfaces. II. Adatom-Adatom Potentials,” J. Chem. Phys., 62, 4300-4307 (1975) and may be found at