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.
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