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Phys. Rev. B 71, 035116 (2005) [7 pages]

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

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Katsuhiko Higuchi
Graduate School of Advanced Sciences of Matter, Hiroshima University, Higashi-Hiroshima 739-8530, Japan

Masahiko Higuchi
Department of Physics, Faculty of Science, Shinshu University, Matsumoto 390-8621, Japan

Received 10 June 2004; published 27 January 2005

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.

© 2005 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.71.035116
DOI:
10.1103/PhysRevB.71.035116
PACS:
71.15.Mb, 31.15.Ew, 31.25.Eb