Density-functional theory of the Compton profile anisotropy of copper metal

Gerrit Ernst Wilhelm Bauer, Jochen R. Schneider

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

Band structure calculations of the Compton profiles of copper are compared with the experiment in the light of a rigorous interpretation of momentum densities in the Hohenberg-Kohn-Sham ground state density-functional formalism. There are strong evidences that the significant discrepancies for the Compton profile anisotropies do not originate from inaccurate solutions of the Kohn-Sham self-consistent equations, but from a non-local momentum density correlation correction functional.

Original languageEnglish
Pages (from-to)17-24
Number of pages8
JournalZeitschrift für Physik B Condensed Matter
Volume54
Issue number1
DOIs
Publication statusPublished - 1983 Mar 1
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)

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