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  1. A500 情報学部/情報学研究科・情報文化学部・情報科学研究科
  2. A500a 雑誌掲載論文
  3. 学術雑誌

Density fitting for the decomposition of three-electron integrals in explicitly correlated electronic structure theory

http://hdl.handle.net/2237/7063
http://hdl.handle.net/2237/7063
49372ce5-9401-4f31-b0b5-98c44ad7d485
名前 / ファイル ライセンス アクション
JChemPhys_119_5358.pdf JChemPhys_119_5358.pdf (84.5 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2006-10-25
タイトル
タイトル Density fitting for the decomposition of three-electron integrals in explicitly correlated electronic structure theory
言語 en
著者 Ten-no, Seiichiro

× Ten-no, Seiichiro

WEKO 14059

en Ten-no, Seiichiro

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Manby, Frederick R.

× Manby, Frederick R.

WEKO 14060

en Manby, Frederick R.

Search repository
アクセス権
アクセス権 open access
アクセス権URI http://purl.org/coar/access_right/c_abf2
権利
言語 en
権利情報 Copyright (2003) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
抄録
内容記述 It is shown that the convergence of R12-type explicitly correlated electronic structure theories can be improved by rearranging the three-electron integrals before using a resolution of the identity to decompose them into expressions involving only two-electron integrals. The new scheme is illustrated for some test systems within the explicitly correlated second order many-body perturbation theory.
言語 en
内容記述タイプ Abstract
出版者
言語 en
出版者 American Institute of Physics
言語
言語 eng
資源タイプ
資源タイプresource http://purl.org/coar/resource_type/c_6501
タイプ journal article
出版タイプ
出版タイプ VoR
出版タイプResource http://purl.org/coar/version/c_970fb48d4fbd8a85
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 https://doi.org/10.1063/1.1600431
ISSN
収録物識別子タイプ PISSN
収録物識別子 0021-9606
書誌情報 en : The Journal of Chemical Physics

巻 119, 号 11, p. 5358-5363, 発行日 2003-09-15
フォーマット
application/pdf
著者版フラグ
値 publisher
URI
識別子 http://hdl.handle.net/2237/7063
識別子タイプ HDL
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