Theory of inhomogeneous quantum systems. IV. Variational calculations of metal surfaces
- 1 November 1985
- journal article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 32 (9), 5693-5712
- https://doi.org/10.1103/physrevb.32.5693
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.Keywords
This publication has 31 references indexed in Scilit:
- Theory of inhomogeneous quantum systems. III. Variational wave functions for Fermi fluidsPhysical Review B, 1985
- Beyond the local-density approximation in calculations of ground-state electronic propertiesPhysical Review B, 1983
- Variational calculations of low-index crystal face-dependent surface energies and work functions of simple metalsPhysical Review B, 1981
- Ground State of the Electron Gas by a Stochastic MethodPhysical Review Letters, 1980
- Variational method for liquid3He. I. The Fermi hypernetted-chain approachJournal of Low Temperature Physics, 1977
- Theory of Metal Surfaces: Work FunctionPhysical Review B, 1971
- Theory of Metal Surfaces: Charge Density and Surface EnergyPhysical Review B, 1970
- Paired-Phonon Analysis for the Ground State and Low Excited States of Liquid HeliumPhysical Review B, 1969
- Surface tension and density of the liquid earth alkaline metals Mg, Ca, Sr, BaJournal of Inorganic and Nuclear Chemistry, 1968
- The surface tension of the alkali metalsJournal of Inorganic and Nuclear Chemistry, 1967