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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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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 | Correction method for obtaining the variationally best ground-state pair density | |||||||||
言語 | ||||||||||
言語 | eng | |||||||||
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 | 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 | 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. | |||||||||
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内容記述 | Article | |||||||||
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収録物識別子タイプ | ISSN | |||||||||
収録物識別子 | 1050-2947 | |||||||||
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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 | ||||||||||
URL | http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=ShinshuUniv&SrcApp=ShinshuUniv&DestLinkType=FullRecord&DestApp=WOS&KeyUT=000295712700026 |