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Pair density functional theory utilizing the noninteracting reference system: An effective initial theory
http://hdl.handle.net/10091/16965
http://hdl.handle.net/10091/16965d7010ec8-2a8f-4c47-aad1-71c8d489b2ec
| 名前 / ファイル | ライセンス | アクション |
|---|---|---|
PhysRevB.78.125101.pdf (150.7 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 | Pair density functional theory utilizing the noninteracting reference system: An effective initial theory | |||||||||
| 言語 | ||||||||||
| 言語 | eng | |||||||||
| DOI | ||||||||||
| 関連識別子 | https://doi.org/10.1103/PhysRevB.78.125101 | |||||||||
| 関連名称 | 10.1103/PhysRevB.78.125101 | |||||||||
| 資源タイプ | ||||||||||
| 資源 | http://purl.org/coar/resource_type/c_6501 | |||||||||
| タイプ | journal article | |||||||||
| 著者 |
Higuchi, Masahiko
× Higuchi, Masahiko
× Higuchi, Katsuhiko
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| 信州大学研究者総覧へのリンク | ||||||||||
| 氏名 | Higuchi, Masahiko | |||||||||
| 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. 78(12):125101 (2008) | |||||||||
| 書誌情報 |
PHYSICAL REVIEW B 巻 78, 号 12, p. 125101, 発行日 2008-09 |
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| 抄録 | ||||||||||
| 内容記述 | We present a pair density (PD) functional scheme utilizing the noninteracting reference system. In order to check to what extent this scheme can express the correlation effects, actual calculations are performed for the neutral neon atom. It is shown that this scheme reproduces about 20% of the correlation energy through use of noninteracting single determinants with an approximate correlating kinetic energy functional. Thus, since it obviously provides the N-representable and correlated PD, this scheme can be positioned as an effective initial theory in the field of the PD functional theory, just like the position of the Hartree-Fock approximation in the field of the wave function theory. | |||||||||
| 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 © 2010 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=000259691500018 | |||||||||
