Sum rules and bounds on the exchange and correlation energy functional of current-density functional theory
Physical Review B - Condensed Matter and Materials Physics 65 巻 19 号
195122-1-195122-9 頁
2002-05-10 発行
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| ファイル情報(添付) | |
| タイトル ( eng ) |
Sum rules and bounds on the exchange and correlation energy functional of current-density functional theory
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| 作成者 |
Higuchi Masahiko
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| 収録物名 |
Physical Review B - Condensed Matter and Materials Physics
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| 巻 | 65 |
| 号 | 19 |
| 開始ページ | 195122-1 |
| 終了ページ | 195122-9 |
| 抄録 |
The exact expression for the exchange-correlation energy functional Exc[ρ,jp] 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 ρ(r) and paramagnetic current density jp(r). On the basis of this expression, the local density approximation and its modifications for Exc[ρ,jp] are proposed within the CDFT. In addition, we present sum rules and bounds on Exc[ρ,jp] by considering the behaviors of the basic variables and Exc[ρ,jp] under the various types of the nonuniform coordinate scaling of electrons. They are useful in estimating the validity of the approximate forms of Exc[ρ,jp] proposed.
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| 言語 |
英語
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| 資源タイプ | 学術雑誌論文 |
| 出版者 |
American Physical Society
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| 発行日 | 2002-05-10 |
| 権利情報 |
Copyright (c) 2002 American Physical Society.
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| 出版タイプ | Version of Record（出版社版。早期公開を含む） |
| アクセス権 | オープンアクセス |
| 収録物識別子 |
[ISSN] 1098-0121
[DOI] 10.1103/PhysRevB.65.195122
[NCID] AA11187113
[DOI] http://dx.doi.org/10.1103/PhysRevB.65.195122
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