Wannier functions and self-consistent metal calculations
- 15 July 1974
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 10 (2) , 382-383
- https://doi.org/10.1103/physrevb.10.382
Abstract
It is shown how, with the help of the density-functional formalism and moment techniques, a self-consistent calculation for a metal can be carried out entirely in terms of Wannier functions, without recourse to the eigenfunctions. The applicability of this approach to metals with or without impurities, disorder, surfaces, adatoms, etc., is briefly discussed.Keywords
This publication has 8 references indexed in Scilit:
- Surface Electronic Structure via Generalized Wannier FunctionsPhysical Review Letters, 1974
- Wannier Functions in a Simple Nonperiodic SystemPhysical Review B, 1973
- Modified-Moments Method: Applications to Harmonic SolidsPhysical Review B, 1973
- Theory of Metal Surfaces: Induced Surface Charge and Image PotentialPhysical Review B, 1973
- Modified Moments for Harmonic SolidsPhysical Review B, 1972
- BINARY ALLOYS IN THE STRONG-SCATTERING LIMIT : MOMENT ANALYSISLe Journal de Physique Colloques, 1972
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964