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Chemical Physics Letters, Vol.346, No.3-4, 187-194, 2001
Surface diffusion of heavy inert gas atoms on metals from intermolecular potential energies based on a density-functional method
Based on a recently suggested density functional, a model for corrugational inert gas atom-metal surface potential energies for intermolecular interaction is obtained. The atom-atom potential energy summation is used, from where analytical fits are obtained for the potential energies for the gas-surface systems Ar-Cu(001), Kr-Cu(001) and Ar-Ag (001). Following the solution method for the Fokker-Planck equation due to Risken, coefficients for the tracer diffusion are obtained. Finally the results are discussed concerning the characteristics of the potential energy surfaces.