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:

1974-01-01

Pagination or Media Count:

10.0

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