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Sum rules and bounds on the exchange and correlation energy functional of current-density functional theory
http://hdl.handle.net/10091/16970
http://hdl.handle.net/10091/169706b827074-24a4-45ce-8c9a-5c8f70a79d39
名前 / ファイル | ライセンス | アクション |
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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 | Sum rules and bounds on the exchange and correlation energy functional of current-density functional theory | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
著者 |
Higuchi, M
× Higuchi, M× Higuchi, K |
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信州大学研究者総覧へのリンク | ||||||
氏名 | Higuchi, M | |||||
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 B. 65(19):195122 (2002) | |||||
書誌情報 |
PHYSICAL REVIEW B 巻 65, 号 19, p. 195122, 発行日 2001-05-15 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | The exact expression for the exchange-correlation energy functional E-xc[rho,j(p)] of the current-density functional theory (CDFT) is derived by means of the coupling-constant integration technique. It contains the coupling-constant-averaged pair correlation function, which is a functional of the electron density rho(r) and paramagnetic current density j(p)(r). On the basis of this expression, the local density approximation and its modifications for E-xc[rho,j(p)] are proposed within the CDFT. In addition, we present sum rules and bounds on E-xc[rho,j(p)] by considering the behaviors of the basic variables and E-xc[rho,j(p)] under the various types of the nonuniform coordinate scaling of electrons. They are useful in estimating the validity of the approximate forms of E-xc[rho,j(p)] proposed. | |||||
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 | 1098-0121 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA11187113 | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1103/PhysRevB.65.195122 | |||||
関連名称 | 10.1103/PhysRevB.65.195122 | |||||
権利 | ||||||
権利情報 | Copyright© 2001 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 | |||||
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