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Sum rules and bounds on the exchange and correlation energy functional of current-density functional theory
https://hiroshima.repo.nii.ac.jp/records/2008210
https://hiroshima.repo.nii.ac.jp/records/2008210a137567c-b81d-4c27-9086-f1c6801af6b0
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
PhysRevB_65_195122.pdf (119.3 KB)
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| Item type | デフォルトアイテムタイプ_（フル）(1) | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| 公開日 | 2023-03-18 | |||||||||
| 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 | en | |||||||||
| 作成者 |
Higuchi, Masahiko
× Higuchi, Masahiko
× Higuchi, Katsuhiko
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| アクセス権 | ||||||||||
| アクセス権 | open access | |||||||||
| アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||||||
| 権利情報 | ||||||||||
| 権利情報 | Copyright (c) 2002 American Physical Society. | |||||||||
| 内容記述 | ||||||||||
| 内容記述 | 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. | |||||||||
| 言語 | en | |||||||||
| 出版者 | ||||||||||
| 出版者 | American Physical Society | |||||||||
| 言語 | ||||||||||
| 言語 | eng | |||||||||
| 資源タイプ | ||||||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||||||
| 資源タイプ | journal article | |||||||||
| 出版タイプ | ||||||||||
| 出版タイプ | VoR | |||||||||
| 出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 | |||||||||
| 関連情報 | ||||||||||
| 識別子タイプ | DOI | |||||||||
| 関連識別子 | 10.1103/PhysRevB.65.195122 | |||||||||
| 関連情報 | ||||||||||
| 識別子タイプ | DOI | |||||||||
| 関連識別子 | http://dx.doi.org/10.1103/PhysRevB.65.195122 | |||||||||
| 収録物識別子 | ||||||||||
| 収録物識別子タイプ | ISSN | |||||||||
| 収録物識別子 | 1098-0121 | |||||||||
| 収録物識別子 | ||||||||||
| 収録物識別子タイプ | NCID | |||||||||
| 収録物識別子 | AA11187113 | |||||||||
| 開始ページ | ||||||||||
| 開始ページ | 195122-1 | |||||||||
| 書誌情報 |
Physical Review B - Condensed Matter and Materials Physics Physical Review B - Condensed Matter and Materials Physics 巻 65, 号 19, p. 195122-1-195122-9, 発行日 2002-05-10 |
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| 旧ID | 18803 | |||||||||
