Kimihiko Hirao

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Takao TsunedaKobe UniversityAdresse e-mail validée de phoenix.kobe-u.ac.jp
Takahito NakajimaRIKENAdresse e-mail validée de riken.go.jp
Haruyuki NakanoProfessor of Chemistry, Kyushu UniversityAdresse e-mail validée de chem.kyushu-univ.jp
Jong-Won SongAssociate Proffessor, Daegu university, Republic of KoreaAdresse e-mail validée de daegu.ac.kr
Tetsuya Taketsugu北海道大学Adresse e-mail validée de sci.hokudai.ac.jp
Kiyoshi YagiUniversity of TsukubaAdresse e-mail validée de chem.tsukuba.ac.jp
Yasuteru ShigetaProfessor of Theoretical Biophysics and Chemistry, University of TsukubaAdresse e-mail validée de ccs.tsukuba.ac.jp
Takeshi SatoThe University of TokyoAdresse e-mail validée de g.ecc.u-tokyo.ac.jp
So HirataMarvin T. Schmidt Professor, University of Illinois at Urbana-ChampaignAdresse e-mail validée de illinois.edu
Yanagisawa, SusumuDepartment of Physics and Earth Sciences, Faculty of Science, University of the RyukyusAdresse e-mail validée de sci.u-ryukyu.ac.jp
Bun ChanNagasaki UniversityAdresse e-mail validée de nagasaki-u.ac.jp
Ram K RoyProfessor, Department of Chemistry, BITS-PILANI, PILANI, Rajasthan, IndiaAdresse e-mail validée de pilani.bits-pilani.ac.in
Yoong-Kee ChoeNational Institute of Advanced Industrial Science and TechnologyAdresse e-mail validée de aist.go.jp
Mark A WatsonSchrodinger IncAdresse e-mail validée de schrodinger.com
Ahmed El-Nahas, Prof. Physical Chem...Chemistry Department, Faculty of Science, Menoufia University,Adresse e-mail validée de science.menofia.edu.eg
Toru MatsuiUniversity of Tsukuba, Department of Chemistry, Graduate School of Pure and Applied SciencesAdresse e-mail validée de chem.tsukuba.ac.jp
Yuki KurashigeKyoto UniversityAdresse e-mail validée de kuchem.kyoto-u.ac.jp
Roland LindhProfessor in Theoretical Chemistry, Uppsala University, SwedenAdresse e-mail validée de kemi.uu.se
Young-Kyu HanProfessor of Energy and Materials Engineering, Dongguk UniversityAdresse e-mail validée de dongguk.edu
Djamaladdin MusaevDirector, Emerson Center, Emory UniversityAdresse e-mail validée de emory.edu

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Kimihiko Hirao

Autres nomsk hirao

Kyoto University

Adresse e-mail validée de kyoto-u.ac.jp

Theoretical Chemistry Computational Chemistry


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
A long-range correction scheme for generalized-gradient-approximation exchange functionals H Iikura, T Tsuneda, T Yanai, K Hirao The Journal of Chemical Physics 115 (8), 3540-3544, 2001	2579	2001
A long-range-corrected time-dependent density functional theory Y Tawada, T Tsuneda, S Yanagisawa, T Yanai, K Hirao The Journal of chemical physics 120 (18), 8425-8433, 2004	2117	2004
Multireference Møller—Plesset method K Hirao Chemical physics letters 190 (3-4), 374-380, 1992	827	1992
Cluster expansion of the wavefunction. Symmetry‐adapted‐cluster expansion, its variational determination, and extension of open‐shell orbital theory H Nakatsuji, K Hirao The Journal of Chemical Physics 68 (5), 2053-2065, 1978	736	1978
NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020	651	2020
NWChem, A computational chemistry package for parallel computers, version 5.1 EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ... Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007	574	2007
Theory and applications of computational chemistry: the first forty years C Dykstra, G Frenking, K Kim, G Scuseria Elsevier, 2011	533	2011
On Koopmans’ theorem in density functional theory T Tsuneda, JW Song, S Suzuki, K Hirao The Journal of chemical physics 133 (17), 2010	531	2010
Multireference Møller—Plesset perturbation theory for high-spin open-shell systems K Hirao Chemical physics letters 196 (5), 397-403, 1992	415	1992
On non-negativity of Fukui function indices RK Roy, S Pal, K Hirao The Journal of chemical physics 110 (17), 8236-8245, 1999	370	1999
State-specific multireference Møller—Plesset perturbation treatment for singlet and triplet excited states, ionized states and electron attached states of H2O K Hirao Chemical physics letters 201 (1-4), 59-66, 1993	338	1993
A new one-parameter progressive Colle–Salvetti-type correlation functional T Tsuneda, T Suzumura, K Hirao The Journal of chemical physics 110 (22), 10664-10678, 1999	336	1999
The higher-order Douglas–Kroll transformation T Nakajima, K Hirao The Journal of Chemical Physics 113 (18), 7786-7789, 2000	324	2000
Long-range corrected density functional calculations of chemical reactions: Redetermination of parameter JW Song, T Hirosawa, T Tsuneda, K Hirao The Journal of chemical physics 126 (15), 2007	322	2007
Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn–Sham method M Kamiya, H Sekino, T Tsuneda, K Hirao The Journal of chemical physics 122 (23), 2005	319	2005
A density functional study of van der Waals interactions M Kamiya, T Tsuneda, K Hirao The Journal of chemical physics 117 (13), 6010-6015, 2002	315	2002
The Douglas–Kroll–Hess Approach T Nakajima, K Hirao Chemical reviews 112 (1), 385-402, 2012	276	2012
Multireference Møller–Plesset perturbation treatment of potential energy curve of N2 K Hirao International Journal of Quantum Chemistry 44 (S26), 517-526, 1992	261	1992
An investigation of density functionals: The first-row transition metal dimer calculations S Yanagisawa, T Tsuneda, K Hirao The Journal of Chemical Physics 112 (2), 545-553, 2000	255	2000
A generalization of the Davidson's method to large nonsymmetric eigenvalue problems K Hirao, H Nakatsuji Journal of Computational Physics 45 (2), 246-254, 1982	254	1982

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