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Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller–Plesset perturbation theories
http://hdl.handle.net/2237/12012
http://hdl.handle.net/2237/12012d576cd32-86b3-462f-bfe1-fa8ad665c22c
名前 / ファイル | ライセンス | アクション |
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JChemPhys_129_044112.pdf (394.9 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2009-08-03 | |||||
タイトル | ||||||
タイトル | Minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller–Plesset perturbation theories | |||||
言語 | en | |||||
著者 |
Takatsuka, Akio
× Takatsuka, Akio× Ten-no, Seiichiro× Hackbusch, Wolfgang |
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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 (2008) 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 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | We implement the minimax approximation for the decomposition of energy denominators in Laplace-transformed Møller–Plesset perturbation theories. The best approximation is defined by minimizing the Chebyshev norm of the quadrature error. The application to the Laplace-transformed second order perturbation theory clearly shows that the present method is much more accurate than other numerical quadratures. It is also shown that the error in the energy decays almost exponentially with respect to the number of quadrature points. | |||||
言語 | en | |||||
出版者 | ||||||
出版者 | American Institite of Physics | |||||
言語 | en | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
資源タイプ | 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/10.1063/1.2958921 | |||||
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 129, 号 4, p. 044112-044112, 発行日 2008-07-31 |
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値 | application/pdf | |||||
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値 | publisher | |||||
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識別子 | http://dx.doi.org/10.1063/1.2958921 | |||||
識別子タイプ | DOI | |||||
URI | ||||||
識別子 | http://hdl.handle.net/2237/12012 | |||||
識別子タイプ | HDL |