An efficient way to compute the gas-surface potential with application to "double rainbow" scattering

Abstract

Assuming that the total atom-crystal atom potential is a pair-wise sum of gas atom-crystal atom Lennard-Jones 12-6 potentials, we described a fast, efficient algorithm for numerically finding the total potential of a gas atom near a crystal surface. The algorithm consits of explicitly summing over part of the solid and then performing integrations over the rest. The algorithm is used in computing Ne scattering distributions from a static Ag (111) surface and the resulting "double rainbow" scattering distributin is described and discussed. © 1978.