Kimihiko Hirao
Orcid: 0000-0002-9545-7569
According to our database1,
Kimihiko Hirao
authored at least 23 papers
between 2000 and 2024.
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Bibliography
2024
The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy.
J. Comput. Chem., 2024
2020
Excitation energies expressed as orbital energies of Kohn-Sham density functional theory with long-range corrected functionals.
J. Comput. Chem., 2020
2019
Accelerated long-range corrected exchange functional using a two-gaussian operator combined with one-parameter progressive correlation functional [LC-BOP(2Gau)].
J. Comput. Chem., 2019
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., 2019
2017
J. Comput. Chem., 2017
2016
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., 2016
2015
J. Comput. Chem., 2015
2013
Long-range corrected density functionals combined with local response dispersion: A promising method for weak interactions.
J. Comput. Chem., 2013
Long-range corrected functionals satisfy Koopmans' theorem: Calculation of correlation and relaxation energies.
J. Comput. Chem., 2013
2011
A semiempirical long-range corrected exchange correlation functional including a short-range Gaussian attenuation (LCgau-B97).
J. Comput. Chem., 2011
Advanced Institute for Computational Science (AICS): Japanese National High-Performance Computing Research Institute and its 10-petaflops supercomputer "K".
Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis, 2011
2010
The next-generation supercomputer project and a plan for the advanced institute for computational science.
Proceedings of the 24th International Conference on Supercomputing, 2010
2009
Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations.
J. Comput. Chem., 2009
2008
J. Comput. Chem., 2008
2006
Acetalization and thioacetalization of cabonyl compounds: A case study based on global and local electrophilicity descriptors.
J. Comput. Chem., 2006
2003
Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems.
J. Comput. Chem., 2003
J. Comput. Chem., 2003
Proceedings of the Computational Science - ICCS 2003, 2003
2002
J. Comput. Chem., 2002
Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions.
J. Comput. Chem., 2002
2001
Investigation of the use of density functionals in second- and third-row transition metal dimer calculations.
J. Comput. Chem., 2001
2000
J. Comput. Chem., 2000