Abstract
Calculations are presented for the scattering of ${\mathrm{CH}}_{4}$ molecules from a LiF(001) surface. The theory utilized is a mixed classical-quantum model that includes energy and momentum transfers between the surface and projectile for translational and rotational motions as well as internal mode excitation of the projectile molecule. The translation and rotation motions, including multiphonon excitations with the surface, are treated with classical dynamics. Internal vibrational mode excitation of the molecules is treated quantum mechanically with extension to arbitrary numbers of modes and arbitrary excitation quantum numbers. The results of calculations are compared with recent high-precision measurements of the scattering of ${\mathrm{CH}}_{4}$ molecules from clean, ordered LiF(001). The calculated results for energy-resolved spectra and for the angular distributions are in good agreement with experiment.
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