Abstract
The interaction potential between the Pt(111) surface and Xe atoms adsorbed upon it was calculated using the cluster method with the Kohn-Sham scheme. For a single Xe atom, an energetically most favorable on-top adsorption site, 3.0 Å above a Pt atom, was found, with an activation energy for surface diffusion of 22 MeV and a perpendicular vibration energy of 8.5 meV. This vibration energy is reduced drastically by clustering of the adsorbed Xe atoms.