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  1. 040 理学部
  2. 0401 学術論文

Kinetic energy contribution to the exchange-correlation energy functional of the extended constrained-search theory

http://hdl.handle.net/10091/16961
http://hdl.handle.net/10091/16961
be961f09-b9fb-485b-8556-d01090228b1a
名前 / ファイル ライセンス アクション
PhysRevA.79.022113.pdf PhysRevA.79.022113.pdf (147.1 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2013-04-23
タイトル
言語 en
タイトル Kinetic energy contribution to the exchange-correlation energy functional of the extended constrained-search theory
言語
言語 eng
キーワード
主題Scheme Other
主題 density functional theory
キーワード
主題Scheme Other
主題 electron correlations
資源タイプ
資源 http://purl.org/coar/resource_type/c_6501
タイプ journal article
著者 Higuchi, Katsuhiko

× Higuchi, Katsuhiko

WEKO 36143

Higuchi, Katsuhiko

Search repository
Higuchi, Masahiko

× Higuchi, Masahiko

WEKO 36144

Higuchi, Masahiko

Search repository
信州大学研究者総覧へのリンク
氏名 Higuchi, Masahiko
URL http://soar-rd.shinshu-u.ac.jp/profile/ja.gVfUPeSe.html
出版者
出版者 AMER PHYSICAL SOC
引用
内容記述タイプ Other
内容記述 PHYSICAL REVIEW A. 79(2):022113 (2009)
書誌情報 PHYSICAL REVIEW A

巻 79, 号 2, p. 22113, 発行日 2009-02
抄録
内容記述タイプ Abstract
内容記述 We present the kinetic energy contribution to the exchange-correlation energy functional of the extended constrained-search (ECS) theory by means of the generalized Bauer's relation. Due to the nature of the exchange-correlation energy functional being a function of the Bohr radius and e(2), three kinds of expressions for the kinetic energy contribution are obtained. These can be utilized as constraints in developing and/or evaluating the approximate form of the exchange-correlation energy functional of the ECS theory. Furthermore, by combining three expressions with the virial relation, we derive other useful relations that include not the kinetic energy contribution but only the exchange-correlation energy functional.
資源タイプ(コンテンツの種類)
内容記述タイプ Other
内容記述 Article
ISSN
収録物識別子タイプ ISSN
収録物識別子 1050-2947
書誌レコードID
収録物識別子タイプ NCID
収録物識別子 AA10764867
DOI
識別子タイプ DOI
関連識別子 https://doi.org/10.1103/PhysRevA.79.022113
関連名称 10.1103/PhysRevA.79.022113
権利
権利情報 Copyright© 2009 The American Physical Society
出版タイプ
出版タイプ VoR
出版タイプResource http://purl.org/coar/version/c_970fb48d4fbd8a85
WoS
表示名 Web of Science
URL http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=ShinshuUniv&SrcApp=ShinshuUniv&DestLinkType=FullRecord&DestApp=WOS&KeyUT=000263815000035
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