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Hartree-Fock energy levels in solids: Application to argon

Baroni, S.
•
Grosso, G.
•
Pastori Parravicini, G.
1981
  • journal article

Periodico
PHYSICAL REVIEW. B, CONDENSED MATTER
Abstract
We examine the reliability of first-principles electronic calculations performed with the orthogonalized-plane-wave method and the Gaussian representation of occupied orbitals. A good feature of such a procedure is that the exchange potential in its nonlocal form can be included rigorously and the matrix elements are still in analytic form. As a specific application, we consider the case of argon, and we compare our results with previous calculations.
DOI
10.1103/PhysRevB.23.6441
WOS
WOS:A1981LV27700028
Archivio
http://hdl.handle.net/20.500.11767/12037
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-28544447390
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metadata only access
Soggetti
  • Settore FIS/03 - Fisi...

Scopus© citazioni
12
Data di acquisizione
Jun 14, 2022
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Visualizzazioni
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Data di acquisizione
Apr 19, 2024
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