Electron gas-density functional calculations of the repulsive potentials between noble gas atoms and noble metal surfaces

An electron gas-density functional approach previously used to calculate the potential between two rare gas atoms has been applied to the calculation of the interaction potential of a rare gas atom with the surface of a noble metal. The method is illustrated by calculating the repulsive potential for helium atoms interacting with copper and silver metal surfaces assuming that the surface is either made up of discrete atoms or is a jellium continuum. The results compare well with published ab initio results. The theory provides estimates of the locations of the jellium edge and of the Norskov parameter. (c) 2005 Elsevier B.V. All rights reserved.