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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

New implementation of second-order Moller-Plesset perturbation theory with an analytic Slater-type geminal

http://hdl.handle.net/2237/8782
http://hdl.handle.net/2237/8782
6586e861-af35-4cd4-b19a-5e06f2b8f98a
名前 / ファイル ライセンス アクション
JourChemPhys_126-14108.pdf JourChemPhys_126-14108.pdf (205.2 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2007-09-26
タイトル
タイトル New implementation of second-order Moller-Plesset perturbation theory with an analytic Slater-type geminal
言語 en
著者 Ten-no, Seiichiro

× Ten-no, Seiichiro

WEKO 19219

en Ten-no, Seiichiro

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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 (2007) 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 The author introduces a new method for the exchange commutator integrals in explicitly correlated Møller-Plesset second order perturbation theory. The method is well suited with an analytic Slater-type geminal correlation factor. He also explains the scheme for auxiliary integrals needed for the correlation factor. Based on different Ansätze, he analyzes the performance of the method on correlation energies and reaction enthalpies in detail.
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/10.1063/1.2403853
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 126, 号 1, p. 014108-014108, 発行日 2007-01-07
フォーマット
application/pdf
著者版フラグ
値 publisher
URI
識別子 http://hdl.handle.net/2237/8782
識別子タイプ HDL
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