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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 |
|---|---|---|
PhysRevB.74.195122.pdf (156.6 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 | ||||||||||
| 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 | |||||||||
| DOI | ||||||||||
| 関連識別子 | https://doi.org/10.1103/PhysRevB.65.195122 | |||||||||
| 関連名称 | 10.1103/PhysRevB.65.195122 | |||||||||
| 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 | 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 | 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） | ||||||||||
| 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 | |||||||||
| 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 | ||||||||||
| URL | http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=ShinshuUniv&SrcApp=ShinshuUniv&DestLinkType=FullRecord&DestApp=WOS&KeyUT=000175860900057 | |||||||||
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Cite as
Higuchi, M, Higuchi, K, 2001, Sum rules and bounds on the exchange and correlation energy functional of current-density functional theory: AMER PHYSICAL SOC, 195122– p.
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