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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/2237/87826586e861-af35-4cd4-b19a-5e06f2b8f98a
名前 / ファイル | ライセンス | アクション |
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JourChemPhys_126-14108.pdf (205.2 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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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 |
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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 |
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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 |