Application of the semiclassical perturbation (SCP) approximation to diffraction and rotationally inelastic scattering of atoms and molecules from surfaces

摘要

The semiclassical perturbation (SCP) approximation of Miller and Smith lsqb;Phys. Rev. A17, 17 (1978)rsqb; is applied to the scattering of atoms and molecules from crystal surfaces. Specifically, diffraction of He from LiF, and diffraction and rotationally inelastic scattering of H2from LiF are treated, and the SCP model is seen to agree well with earlier coupledhyphen;channel and quantum sudden calculations. These tests of the SCP model are all for lsquo;lsquo;softrsquo;rsquo; interaction potentials, e.g., of the Lennardhyphen;Jones Devonshire variety, but it is also shown that the model behaves correctly in the limit of an impulsive hardhyphen;wall potential function. The SCP picture thus appears to have a wide range of validity for describing the dynamics of gashyphen;surface collisions.