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J-GLOBAL ID：201802215903262884   Reference number：18A1253170

Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

電子密度の3次勾配を持つ半局所機械学習運動エネルギー密度汎関数【JST・京大機械翻訳】

Author (5)： Seino Junji (Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan) ,  Kageyama Ryo (Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan) ,  Fujinami Mikito (Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan) ,  Ikabata Yasuhiro (Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan) ,  Nakai Hiromi (Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan)
Material： Journal of Chemical Physics  (J Chem Phys)
Volume： 148  Issue： 24  Page： 241705-241705-13  Publication year： 2018 
JST Material Number： C0275A  ISSN： 0021-9606  CODEN： JCPSA6  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： A semi-local kinetic energy de...

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Thesaurus term： *kinetic energy ,  *energy density ,  *electron density ,  molecular system ,  *density functional method ,  *functional ,  *Machine Learning ,  *energy ,  *mechanical quantity

JST classification (2)： Electronic structure of molecules  (BH05010Q) ,  Physical chemistry in general  (CB01010X)

Terms in the title (5)： 電子密度 ,  勾配 ,  機械学習 ,  運動エネルギー ,  密度汎関数