Evidence for a fundamental inadequacy of the gradient expansion of the exchange-correlation energy functional in the Hohenberg-Kohn-Sham density-functional theory from Compton scattering experiments

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Abstract

The gradient expansion of the exchange-correlation energy functional is shown to break down for the description of the anisotropic correlation effects observed in the Compton profiles of transition metals. The experiment thus reveals exchange-correlation contributions to the "quantum oscillations" in the momentum density.

Original languageEnglish
Pages (from-to)1010-1011
Number of pages2
JournalPhysical Review B
Volume30
Issue number2
DOIs
Publication statusPublished - 1984 Jan 1
Externally publishedYes

ASJC Scopus subject areas

  • Condensed Matter Physics

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