Generalized Langevin equation approach for atom/solid–surface scattering: Numerical techniques for Gaussian generalized Langevin dynamics

Abstract

General numerical techniques suitable for the treatment of Gaussian generalized Langevin dynamics are developed. The specific problem considered is that of gas/solid–surface collisions. The basic result is that minor modifications of the methods commonly utilized in classical-mechanical trajectory approaches allow their use in generalized Langevin studies. Sample numerical results are presented for the Ne/W and Ar/W systems.