Art

J-GLOBAL ID：201202206494344674   Reference number：12A0139868

Development of the four-body corrected fragment molecular orbital (FMO4) method

四体補正したフラグメント分子軌道(FMO4)法の開発

Author (13)： NAKANO Tatsuya (Div. of Medicinal Safety Sci., National Inst. of Health Sciences, 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, JPN) ,  NAKANO Tatsuya (Inst. of Industrial Sci., The Univ. of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, JPN) ,  MOCHIZUKI Yuji (Inst. of Industrial Sci., The Univ. of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, JPN) ,  MOCHIZUKI Yuji (Dep. of Chemistry and Res. Center for Smart Molecules, Fac. of Sci., Rikkyo Univ., 3-34-1 Nishi-ikebukuro ...) ,  YAMASHITA Katsumi (1st Manufacturing Industries Solutions Div., NEC Soft Ltd., 1-18-6 Shinkiba Koto-ku, Tokyo 136-8608, JPN) ,  WATANABE Chiduru (Inst. of Industrial Sci., The Univ. of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, JPN) ,  FUKUZAWA Kaori (Inst. of Industrial Sci., The Univ. of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, JPN) ,  FUKUZAWA Kaori (Mizuho Information and Res. Inst. Inc., 2-3 Kanda Nishiki-cho, Chiyoda-ku, Tokyo 101-8843, JPN) ,  SEGAWA Katsunori (Div. of Medicinal Safety Sci., National Inst. of Health Sciences, 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501, JPN) ,  OKIYAMA Yoshio (Inst. of Industrial Sci., The Univ. of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, JPN) ,  TSUKAMOTO Takayuki (Inst. of Industrial Sci., The Univ. of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, JPN) ,  TSUKAMOTO Takayuki (Mizuho Information and Res. Inst. Inc., 2-3 Kanda Nishiki-cho, Chiyoda-ku, Tokyo 101-8843, JPN) ,  TANAKA Shigenori (Graduate School of System Informatics, Kobe Univ., 1-1 Rokkodai, Nada-ku, Kobe 657-8501, JPN)
Material： Chemical Physics Letters  (Chem Phys Lett)
Volume： 523  Page： 128-133  Publication year： Jan. 27, 2012 
JST Material Number： B0824A  ISSN： 0009-2614  Document type： Article
Article type： 短報  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Thesaurus term： *molecular orbital method ,  four-body problem ,  correction(compensation) ,  MP2 method ,  Hartree-Fock method
Semi thesaurus term： *Fragment Molecular Orbital method

JST classification (1)： Electronic structure of molecules  (BH05010Q)

Terms in the title (4)： フラグメント ,  分子軌道 ,  法 ,  開発