年単位の研究成果
研究成果 1990 2019
2017
3
引用
(Scopus)
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
Excited states
Quantum chemistry
Molecular orbitals
Electronic structure
Density functional theory
2015
1
引用
(Scopus)
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
Chemical bonds
Atomization
Hydrides
Oxides
Metals
2011
25
引用
(Scopus)
Divide-and-conquer approaches to quantum chemistry: Theory and implementation
Kobayashi, M. & Nakai, H., 2011 1 1, Challenges and Advances in Computational Chemistry and Physics. Springer, p. 97-127 31 p. (Challenges and Advances in Computational Chemistry and Physics; 巻数 13).研究成果: Chapter
Quantum chemistry
Electron correlations
Correlation methods
quantum chemistry
self consistent fields