Kimihiko Hirao

23 papers A 1Misc 1Journal 20Unranked 1

Year	Rank	Type	Title / Venue / Authors
2024	J	`jnl`	The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy. J. Comput. Chem. Kimihiko Hirao, Takahito Nakajima, Bun Chan, Ho-jin Lee
2020	J	`jnl`	Excitation energies expressed as orbital energies of Kohn-Sham density functional theory with long-range corrected functionals. J. Comput. Chem. Kimihiko Hirao, Bun Chan, Jong-Won Song, Kamala Bhattarai, Subrata Tewary
2019	J	`jnl`	Accelerated long-range corrected exchange functional using a two-gaussian operator combined with one-parameter progressive correlation functional [LC-BOP(2Gau)]. J. Comput. Chem. Jong-Won Song, Kimihiko Hirao
2019	J	`jnl`	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. Bun Chan, Yukio Kawashima, Kimihiko Hirao
2017	J	`jnl`	Correlation functional in screened-exchange density functional theory procedures. J. Comput. Chem. Bun Chan, Yukio Kawashima, Kimihiko Hirao
2016	J	`jnl`	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. Bun Chan, Jong-Won Song, Yukio Kawashima, Kimihiko Hirao
2015	J	`jnl`	Toward the complete range separation of non-hybrid exchange-correlation functional. J. Comput. Chem. Bun Chan, Jong-Won Song, Yukio Kawashima, Kimihiko Hirao
2013	J	`jnl`	Long-range corrected density functionals combined with local response dispersion: A promising method for weak interactions. J. Comput. Chem. Rahul Kar, Jong-Won Song, Takeshi Sato, Kimihiko Hirao
2013	J	`jnl`	Long-range corrected functionals satisfy Koopmans' theorem: Calculation of correlation and relaxation energies. J. Comput. Chem. Rahul Kar, Jong-Won Song, Kimihiko Hirao
2011	J	`jnl`	A semiempirical long-range corrected exchange correlation functional including a short-range Gaussian attenuation (LCgau-B97). J. Comput. Chem. Jong-Won Song, Daoling Peng, Kimihiko Hirao
2011	—	`conf`	Advanced Institute for Computational Science (AICS): Japanese National High-Performance Computing Research Institute and its 10-petaflops supercomputer "K". SC State of the Practice Reports Akinori Yonezawa, Tadashi Watanabe, Mitsuo Yokokawa, Mitsuhisa Sato, Kimihiko Hirao
2010	A	`conf`	The next-generation supercomputer project and a plan for the advanced institute for computational science. ICS Kimihiko Hirao
2009	J	`jnl`	Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations. J. Comput. Chem. Ayako Nakata, Takao Tsuneda, Kimihiko Hirao
2008	J	`jnl`	A dual-level state-specific time-dependent density-functional theory. J. Comput. Chem. Seiken Tokura, Takeshi Sato, Takao Tsuneda, Takahito Nakajima, Kimihiko Hirao
2006	J	`jnl`	Acetalization and thioacetalization of cabonyl compounds: A case study based on global and local electrophilicity descriptors. J. Comput. Chem. Ram Kinkar Roy, V. Usha, Bhisma K. Patel, Kimihiko Hirao
2003	J	`jnl`	Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems. J. Comput. Chem. Henryk A. Witek, Haruyuki Nakano, Kimihiko Hirao
2003	J	`jnl`	Regional self-interaction correction of density functional theory. J. Comput. Chem. Takao Tsuneda, Muneaki Kamiya, Kimihiko Hirao
2003	Misc	`conf`	UTChem - A Program for ab initio Quantum Chemistry. International Conference on Computational Science Takeshi Yanai, Haruyuki Nakano, Takahito Nakajima, Takao Tsuneda, So Hirata, Yukio Kawashima, Yoshihide Nakao, Muneaki Kamiya, Hideo Sekino, Kimihiko Hirao
2002	J	`jnl`	Intruder state avoidance multireference Møller-Plesset perturbation theory. J. Comput. Chem. Henryk A. Witek, Yoong-Kee Choe, James P. Finley, Kimihiko Hirao
2002	J	`jnl`	Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions. J. Comput. Chem. Haruyuki Nakano, Ryuma Uchiyama, Kimihiko Hirao
2002	J	`jnl`	Relativistic electronic structure theory. J. Comput. Chem. Takahito Nakajima, Takeshi Yanai, Kimihiko Hirao
2001	J	`jnl`	Investigation of the use of density functionals in second- and third-row transition metal dimer calculations. J. Comput. Chem. Susumu Yanagisawa, Takao Tsuneda, Kimihiko Hirao
2000	J	`jnl`	A theoretical study of catalytic hydration reactions of ethylene. J. Comput. Chem. Yoshinao Nakagawa, Nobuo Tajima, Kimihiko Hirao