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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/10091/16961be961f09-b9fb-485b-8556-d01090228b1a
名前 / ファイル | ライセンス | アクション |
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PhysRevA.79.022113.pdf (147.1 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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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 | density functional theory, 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× Higuchi, Masahiko |
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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 |
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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 |