Summation of Pairwise Potentials in Gas-Surface Interaction Calculations

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Abstract
A model is presented from which the over-all gas-surface interaction may be calculated, in simple closed form, from direct summation of microscopic, pairwise, gas atom-solid atom interactions. A formula is derived for the Fourier components of the gas-surface interaction potential which results from summation of the general pairwise potential over all lattice sites; for the special case of the Yukawa pairwise potential, the results are exponential functions of the distance of a gas atom from the solid surface. In this way, empirical over-all gas-surface interaction laws of the exponential type are related to more basic, but still empirical, pairwise interactions. The system He-LiF is considered as an illustration of the work.

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