Relations between lattice dynamics of simple metals and liquid state properties

Abstract

The actual interaction between ions in a metal is divided into the direct interaction of the ion cores and the ion-electron-ion interaction. The ion-electron-ion interaction is treated according to the Hartree-Fock approximation modified by a screened exchange potential. Since until now the bare ion potential is not known very accurately, the observed phonon frequencies were used to determine a model pseudopotential with the least squares method. Using this model pseudopotential the electronic band structure, the density of states as well as the electrical resistivity of molten Na, K, Al and Pb were calculated.