Rotational energy distributions in molecule surface scattering: Model calculations for NO/Ag(111)

Abstract

Classical trajectory and quantum-mechanical calculations of final rotational state distributions are described for a simple model of the scattering of NO from Ag(111) which show strong effects of rotational rainbows. The quantum-mechanical calculation reproduces the general trends of the experimental data quite well. The classical calculation is qualitatively and quantitatively inadequate, an inadequacy which is remarkable in view of the large masses of the particles and the high degree of rotational excitation. © 1983.