Local model pseudopotential for noble metals

Abstract

A local model pseudopotential calculation is carried out for noble metals with the help of the generalized pseudopotential formalism for transition metals given by Harrison (1965). The hybridization matrix element is related to the bare ion pseudopotential matrix element through a proportionality factor A(q) where q is the wavevector. The q dependence of A(q) is assumed to be the same for copper, silver and gold. Ashcroft's empty core model potential (1966) is modified for noble metals. It is then used to calculate the dispersion curves in silver. The results are in reasonable agreement with the experimental data.