Potential energy surface for rare gases adsorbed on Cu(111): parameterization of the gas/metal interaction potential

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Potential energy surface for rare gases adsorbed on Cu(111): Parameterization of the gas/metal interaction potential RIGHI, Maria Clelia ; FERRARIO, Mauro 2007 Abstract We propose a model potential function to describe the interaction between rare-gas atoms and a metal surface with parameters derived on the basis of ab initio calculations. We discuss the merits of the proposed functional form for applications in molecular dynamics studies of nanotribology.