Vorticity expansion approximation of the exchange-correlation energy functional in current density functional theory
Physical Review B - Condensed Matter and Materials Physics 74 巻 19 号
195122-1-195122-8 頁
2006-11-22 発行
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| ファイル情報(添付) | |
| タイトル ( eng ) |
Vorticity expansion approximation of the exchange-correlation energy functional in 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 | 74 |
| 号 | 19 |
| 開始ページ | 195122-1 |
| 終了ページ | 195122-8 |
| 抄録 |
We propose the vorticity expansion approximation (VEA) formulas of the exchange and correlation energy functionals of the current density functional theory (CDFT). They have a form of the second-order expansion with respect to the vorticity. Expansion coefficients are determined by requiring them to satisfy exact relations that have been derived from scaling properties of exchange and correlation energy functionals. Resultant VEA formulas satisfy a larger number of exact relations than those of the local-density approximation of the CDFT. Due to the well-behaved forms, the VEA formulas can be in quite good agreement with the exchange and correlation energies of the homogeneous electron liquid under a uniform magnetic field.
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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 | 2006-11-22 |
| 権利情報 |
Copyright (c) 2006 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.74.195122
[NCID] AA11187113
[DOI] http://dx.doi.org/10.1103/PhysRevB.74.195122
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