MOLECULE-CORRUGATED SURFACE COLLISIONS - CONVERGED CLOSE-COUPLING WAVE-PACKET AND QUASI-CLASSICAL TRAJECTORY CALCULATIONS FOR N2 SCATTERINGFROM CORRUGATED LATTICES

The close coupling wave packet (CCWP) and quasiclassical trajectory me thods are used to study rotationally inelastic scattering of N2 from s tatic, corrugated surfaces. The collision energy in these calculations ranges from 10 to 100 meV; 18 711 quantum states are included in the highest energy calculations to ensure convergence. The scattered molec ules are analyzed with respect to the polarization of the final angula r momentum vector and the amount of energy transferred into rotational motion and translational motion parallel to the surface. Comparisons of quantum and quasiclassical results show that quantum effects are im portant even with the relatively large mass of N2 and the high scatter ing energies used and can be seen even after summing over many final q uantum states. A test of a factorization relation derived from the coo rdinate-representation sudden (CRS) approximation gives qualitative ag reement with the exact quantum results.