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- W2012182812 abstract "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 Nørskov parameter." @default.
- W2012182812 created "2016-06-24" @default.
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- W2012182812 creator A5075122004 @default.
- W2012182812 date "2006-02-01" @default.
- W2012182812 modified "2023-10-16" @default.
- W2012182812 title "Electron gas-density functional calculations of the repulsive potentials between noble gas atoms and noble metal surfaces" @default.
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- W2012182812 doi "https://doi.org/10.1016/j.chemphys.2005.08.025" @default.
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