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Correction method for obtaining the variationally best ground-state pair density
http://hdl.handle.net/10091/16959
http://hdl.handle.net/10091/16959181dc5f6-bef2-4d02-bdb7-51376ae9748c
名前 / ファイル | ライセンス | アクション |
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PhysRevA.84.044502.pdf (205.7 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 | ||||||
言語 | en | |||||
タイトル | Correction method for obtaining the variationally best ground-state pair density | |||||
言語 | ||||||
言語 | eng | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1103/PhysRevA.84.044502 | |||||
関連名称 | 10.1103/PhysRevA.84.044502 | |||||
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 | ||||||
内容記述タイプ | Other | |||||
内容記述 | PHYSICAL REVIEW A. 84(4):044502 (2011) | |||||
書誌情報 |
PHYSICAL REVIEW A 巻 84, 号 4, p. 44502, 発行日 2011-10-10 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | We present a correction method for the pair density (PD) to get close to the ground-state one. The PD is corrected to be a variationally best PD within the search region that is extended by adding the uniformly scaled PDs to its elements. The corrected PD is kept N-representable and satisfies the virial relation rigorously. The validity of the present method is confirmed by numerical calculations of neon atom. It is shown that the root-mean-square error of the electron-electron interaction and external potential energies, which is a good benchmark for the error of the PD, is reduced by 69.7% without additional heavy calculations. | |||||
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 | |||||
権利 | ||||||
権利情報 | Copyright© 2011 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=000295712700026 |