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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 | |
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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 | ||||||
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× Higuchi, K× Narita, A× Higuchi, M |
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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 |
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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 |