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Kimihiko Hirao
Kimihiko Hirao
Verified email at kyoto-u.ac.jp
Title
Cited by
Cited by
Year
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
24822001
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
20362004
Multireference Møller—Plesset method
K Hirao
Chemical physics letters 190 (3-4), 374-380, 1992
8081992
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
7341978
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
5772007
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
5552020
Theory and applications of computational chemistry: the first forty years
C Dykstra, G Frenking, K Kim, G Scuseria
Elsevier, 2011
5232011
On Koopmans’ theorem in density functional theory
T Tsuneda, JW Song, S Suzuki, K Hirao
The Journal of chemical physics 133 (17), 2010
4842010
Multireference Møller—Plesset perturbation theory for high-spin open-shell systems
K Hirao
Chemical physics letters 196 (5), 397-403, 1992
4101992
On non-negativity of Fukui function indices
RK Roy, S Pal, K Hirao
The Journal of chemical physics 110 (17), 8236-8245, 1999
3491999
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
3351993
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
3341999
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
3152007
The higher-order Douglas–Kroll transformation
T Nakajima, K Hirao
The Journal of Chemical Physics 113 (18), 7786-7789, 2000
3142000
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
3112002
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
3072005
Multireference Møller–Plesset perturbation treatment of potential energy curve of N2
K Hirao
International Journal of Quantum Chemistry 44 (S26), 517-526, 1992
2601992
The Douglas–Kroll–Hess Approach
T Nakajima, K Hirao
Chemical reviews 112 (1), 385-402, 2012
2582012
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
2532000
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
2441982
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