Abstract
Calculations are carried out and compared with data for the scattering ofCH4 molecules from aLiF(001) surface and for O2 scattering from Al(111). The theory is a mixed classical-quantum formalism thatincludes energy and momentum transfers between the surface and projectile fortranslational and rotational motions as well as internal mode excitation of theprojectile molecule. The translational and rotational degrees of freedom couple moststrongly to multiphonon excitations of the surface and are treated with classicaldynamics. Internal vibrational excitations of the molecules are treated with asemiclassical formalism with extension to arbitrary numbers of modes and arbitraryquantum numbers. Calculations show good agreement for the dependence onincident translational energy, incident beam angle and surface temperature whencompared with data for energy-resolved intensity spectra and angular distributions.
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