作者: Mary Shugard , John C. Tully , Abraham Nitzan
DOI: 10.1063/1.434249
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摘要: A classical mechanical generalized Langevin formalism is applied to the study of gas–surface collisions. Procedures are described for constructing friction and fluctuating forces which accurately represent motion real solids, can be conveniently implemented in a stochastic trajectory calculation. Energy transfer computed using this approach He–W collisions excellent agreement with results quantum distorted wave calculation employing same phonon density states. The method further residence times sticking probabilities. Results indicate that feasible capable accurate simulation collision phenomena.