年別の研究成果
年別の研究成果
検索結果
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2017
A Linear-Scaling Divide-and-Conquer Quantum Chemical Method for Open-Shell Systems and Excited States
Yoshikawa, T. & Nakai, H., 2017 6 21, Fragmentation: Toward Accurate Calculations on Complex Molecular Systems. wiley, p. 297-321 25 p.研究成果: Chapter
4 被引用数 (Scopus) -
2015
Energy expression of the chemical bond between atoms in hydrides and oxides and its application to materials design
Morinaga, M., Yukawa, H. & Nakai, H., 2015 1 1, The DV-X Molecular-Orbital Calculation Method. Springer International Publishing, p. 183-213 31 p.研究成果: Chapter
2 被引用数 (Scopus) -
2011
Divide-and-conquer approaches to quantum chemistry: Theory and implementation
Kobayashi, M. & Nakai, H., 2011, Challenges and Advances in Computational Chemistry and Physics. Springer, p. 97-127 31 p. (Challenges and Advances in Computational Chemistry and Physics; vol. 13).研究成果: Chapter
28 被引用数 (Scopus) -
2008
Chapter 12 New Expression of the Chemical Bond in Hydrides Using Atomization Energies
Shinzato, Y., Yukawa, H., Morinaga, M., Baba, T. & Nakai, H., 2008, Advances in Quantum Chemistry. Sabin, J. & Brandas, E. (eds.). p. 145-160 16 p. (Advances in Quantum Chemistry; vol. 54).研究成果: Chapter
5 被引用数 (Scopus)