Atom–surface diffraction: a trajectory description

Elastic atom–surface scattering is a complex, non-linear dynamical process. In this work, a description of the underlying dynamics in terms of classical and quantum trajectories is reported. After a short presentation of the fundamentals on classical, semiclassical and Bohmian theories, a very detailed analysis of the scattering of He atoms from both Cu(1 1 α) metallic surfaces (with α=0,2,3,5,7 indicating the surface corrugation), and single CO adsorbates on the Pt(1 1 1) surface is provided. Different classical and quantum singularities as well as the selective adsorption resonance phenomenon are widely and carefully discussed. In particular, special emphasis on surface rainbows and resonance profiles is given with the help of the catastrophe theory.