Density functional calculations for liquid metal surfaces


Various forms for the ion density profiles of Cs and Na have been tested in the density functional formalism. The large oscillations expected for Coulombic systems are largely suppressed by the pseudopotential. While oscillatory profiles give some improvement in surface tension, the values obtained are still about twice the experimental ones. It is… (More)


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@inproceedings{Goodisman2015DensityFC, title={Density functional calculations for liquid metal surfaces}, author={Jerry Goodisman and J Goodismant}, year={2015} }