Theory of inhomogeneous quantum systems. IV. Variational calculations of metal surfaces

Abstract

We present results of variational calculations for the jellium model of metal surfaces. The ground-state wave function is represented by a product of local one- and two-body functions and a model Slater function. The correlation functions and the single-particle orbitals entering the Slater determinant are calculated by an unconstrained optimization procedure. Results for the surface energy and the work function are somewhat higher than previously published values.