Accession Number : AD0774119

Title :   Wannier Functions and Self-Consistent Metal Calculations.

Descriptive Note : Technical rept.,

Corporate Author : CALIFORNIA UNIV SAN DIEGO LA JOLLA DEPT OF PHYSICS

Personal Author(s) : Kohn,Walter

Report Date : JAN 1974

Pagination or Media Count : 10

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 impruities, disorder, surfaces, ad-atoms, etc. is briefly discussed. (Author)

Descriptors :   *Band theory of solids, *wave functions, Defects(Materials), Impurities, Electron density, Crystal lattices

Subject Categories : Solid State Physics

Distribution Statement : APPROVED FOR PUBLIC RELEASE