 Kimihiko Hirao
Special Advisor
RIKEN
6th Fl., Meiji Seimei Kan, 2-1-1 Marunouchi,
Chiyoda-ku, Tokyo 100-0005, Japan
Email: hirao@riken.jp
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Research Interests:
Theoretical Chemistry
Main Research Directions:
ab initio MO, DFT, relativistic molecular theory, linear scaling
Editorial Boards:
Journal of Physical Chemistry
Journal of Computational Chemistry
Molecular Physics
Chemical Physics Letters
Journal of Theoretical and Computational Chemistry
Selected publications:
- Mark A. Watson and Kimihiko Hirao, A linear-scaling spectral-element method for computing electrostatic potentials, J. Chem. Phys., 129, (2008) 184107.
- Jong-Won Song, Mark A. Watson, Ayako Nakata, and Kimihiko Hirao, +Core excitation energy calculations with a long-range corrected hybrid exhange-corerlation functional including a short-range Gaussian attenuation (LCgau-BOP), J. Chem. Phys., 129, (2008) 184113
- Minori Abe, Tatsuya Suzuki, Yasuhiko Fujii, Masahiko Hada, and Kimihiko Hirao, An ab initio molecular orbital study of the nuclear volume effects in uranium isotope fractionations, J. Chem. Phys., 129, (2008) 164309.
- Jong-Won Song, Mark A. Watson, Hideo Sekino, and Kimihiko Hirao, Non-linear optical property calculations of polyynes with long-range corrected hybrid exchange-correlation functionals, J. Chem. Phys., 129, (2008) 024117
- M.A. Watson, Y. Kurashige, T. Nakajima, and K. Hirao, Linear-scaling multipole-accelerated Gaussian and finite-element Coulomb method, J. Chem. Phys., 128, (2008) 054105.
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