Exchange-correlation energy functional and virial theorem in the extended constrained-search theory | Zendy

Katsuhiko Higuchi | Zendy; Masahiko Higuchi | Zendy

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Exchange-correlation energy functional and virial theorem in the extended constrained-search theory

Author(s) -

Katsuhiko Higuchi,

Masahiko Higuchi

Publication year - 2005

Publication title -

physical review b

Language(s) - English

Resource type - Journals

eISSN - 1538-4489

pISSN - 1098-0121

DOI - 10.1103/physrevb.71.035116

Subject(s) - virial theorem , virial coefficient , coupling constant , energy (signal processing) , density functional theory , correlation , physics , energy functional , coupling (piping) , constant (computer programming) , quantum mechanics , mathematics , computer science , materials science , geometry , galaxy , programming language , metallurgy

The coupling-constant expression and virial relation for the exchange-correlation energy functional of the extended-constrained search theory [M. Higuchi and K. Higuchi, Phys. Rev. B 69, 035113 (2004)] are derived. These provide the guideline for developing and testing the approximate form of the exchange-correlation energy functional.

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