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Journal Articles
- 2019
[j8]Bun Chan
, Yukio Kawashima, Kimihiko Hirao:
The reHISS Three-Range Exchange Functional with an Optimal Variation of Hartree-Fock and Its Use in the reHISSB-D Density Functional Theory Method. J. Comput. Chem. 40(1): 29-38 (2019)- [j7]Yukio Kawashima, Keisuke Sawada, Takahito Nakajima, Masanori Tachikawa:
A path integral molecular dynamics study on intermolecular hydrogen bond of acetic acid-arsenic acid anion and acetic acid-phosphoric acid anion clusters. J. Comput. Chem. 40(1): 172-180 (2019) - 2017
- [j6]Bun Chan, Yukio Kawashima, Kimihiko Hirao:
Correlation functional in screened-exchange density functional theory procedures. J. Comput. Chem. 38(27): 2307-2315 (2017) - [j5]Yuichi Tanaka, Yukio Kawashima, Norio Yoshida, Haruyuki Nakano:
Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures. J. Comput. Chem. 38(28): 2411-2419 (2017) - 2016
- [j4]Bun Chan, Jong-Won Song, Yukio Kawashima, Kimihiko Hirao:
Performance of the OP correlation functional in relation to its formulation: Influence of the exchange component and the effect of incorporating same-spin correlations. J. Comput. Chem. 37(14): 1306-1312 (2016) - 2015
- [j3]Bun Chan, Jong-Won Song, Yukio Kawashima, Kimihiko Hirao:
Toward the complete range separation of non-hybrid exchange-correlation functional. J. Comput. Chem. 36(12): 871-877 (2015) - 2013
- [j2]Masashi Daido, Yukio Kawashima, Masanori Tachikawa:
Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of base pairs. J. Comput. Chem. 34(28): 2403-2411 (2013) - 2011
- [j1]Michinori Sumimoto, Yukio Kawashima, Daisuke Yokogawa, Kenji Hori, Hitoshi Fujimoto:
Theoretical study on the molecular structures of X-, α-, and β-types of lithium phthalocyanine dimer. J. Comput. Chem. 32(14): 3062-3067 (2011)
Conference and Workshop Papers
- 2003
- [c1]Takeshi Yanai, Haruyuki Nakano, Takahito Nakajima, Takao Tsuneda, So Hirata, Yukio Kawashima, Yoshihide Nakao, Muneaki Kamiya, Hideo Sekino, Kimihiko Hirao:
UTChem - A Program for ab initio Quantum Chemistry. International Conference on Computational Science 2003: 84-95
Coauthor Index
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