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  1. 040 理学部
  2. 0401 学術論文

Pair density functional theory utilizing the noninteracting reference system: An effective initial theory

http://hdl.handle.net/10091/16965
http://hdl.handle.net/10091/16965
d7010ec8-2a8f-4c47-aad1-71c8d489b2ec
名前 / ファイル ライセンス アクション
PhysRevB.78.125101.pdf PhysRevB.78.125101.pdf (150.7 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2013-04-23
タイトル
言語 en
タイトル Pair density functional theory utilizing the noninteracting reference system: An effective initial theory
言語
言語 eng
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

WEKO 36133

Higuchi, Masahiko

Search repository
Higuchi, Katsuhiko

× Higuchi, Katsuhiko

WEKO 36134

Higuchi, Katsuhiko

Search repository
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
内容記述タイプ Other
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
抄録
内容記述タイプ Abstract
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)
内容記述タイプ Other
内容記述 Article
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
DOI
識別子タイプ DOI
関連識別子 https://doi.org/10.1103/PhysRevB.78.125101
関連名称 10.1103/PhysRevB.78.125101
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
表示名 Web of Science
URL http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=ShinshuUniv&SrcApp=ShinshuUniv&DestLinkType=FullRecord&DestApp=WOS&KeyUT=000259691500018
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