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  1. 040 理学部
  2. 0401 学術論文

Scheme for calculating the orbital-dependent exchange-correlation potential using the virial theorem: Application to atomic systems

http://hdl.handle.net/10091/16962
aadd976b-71f0-4f37-be33-9310bd3f2bd2
名前 / ファイル ライセンス アクション
PhysRevA.78.012501.pdf PhysRevA.78.012501.pdf (120.0 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 Scheme for calculating the orbital-dependent exchange-correlation potential using the virial theorem: Application to atomic systems
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 Kodera, M

× Kodera, M

WEKO 36139

Kodera, M

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Higuchi, K

× Higuchi, K

WEKO 36140

Higuchi, K

Search repository
Narita, A

× Narita, A

WEKO 36141

Narita, A

Search repository
Higuchi, M

× Higuchi, M

WEKO 36142

Higuchi, M

Search repository
信州大学研究者総覧へのリンク
氏名 Higuchi, M
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 A. 78(1):012501 (2008)
書誌情報 PHYSICAL REVIEW A

巻 78, 号 1, p. 12501, 発行日 2008-06
抄録
内容記述タイプ Abstract
内容記述 We present a density-functional scheme for calculating the orbital-dependent exchange-correlation potential using the virial theorem as a sum rule. In order to check the validity of this scheme, atomic-structure calculations only with the exchange potential are performed. The accuracy of this scheme is shown to be comparable to that of the optimized effective potential (OEP) method, while the computational workload is extremely reduced compared to the OEP method.
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 1050-2947
書誌レコードID
収録物識別子タイプ NCID
収録物識別子 AA10764867
DOI
関連識別子
識別子タイプ DOI
関連識別子 https://doi.org/10.1103/PhysRevA.78.012501
関連名称
関連名称 10.1103/PhysRevA.78.012501
権利
権利情報 Copyright© 2008 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=000258180300105
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