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Takao Tsuneda
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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
24732001
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
20352004
On Koopmans’ theorem in density functional theory
T Tsuneda, JW Song, S Suzuki, K Hirao
The Journal of chemical physics 133 (17), 2010
4772010
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
3331999
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
3142007
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
3062005
Density Functional Theory in Quantum Chemistry
T Tsuneda
Springer Verlag, Japan, 2014
296*2014
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
Spectroscopic tracking of structural evolution in ultrafast stilbene photoisomerization
S Takeuchi, S Ruhman, T Tsuneda, M Chiba, T Taketsugu, T Tahara
Science 322 (5904), 1073-1077, 2008
2472008
A density-functional study on π-aromatic interaction: Benzene dimer and naphthalene dimer
T Sato, T Tsuneda, K Hirao
The Journal of chemical physics 123 (10), 2005
2252005
Excited state geometry optimizations by analytical energy gradient of long-range corrected time-dependent density functional theory
M Chiba, T Tsuneda, K Hirao
The Journal of chemical physics 124 (14), 2006
2162006
Long‐range correction for density functional theory
T Tsuneda, K Hirao
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (4), 375-390, 2014
1662014
Long-range corrected density functional study on weakly bound systems: Balanced descriptions of various types of molecular interactions
T Sato, T Tsuneda, K Hirao
The Journal of chemical physics 126 (23), 2007
1622007
A new mechanism for the first carbon− carbon bond formation in the MTG process: a theoretical study
N Tajima, T Tsuneda, F Toyama, K Hirao
Journal of the American Chemical Society 120 (32), 8222-8229, 1998
1301998
Van der Waals interactions studied by density functional theory
T Sato, T Tsuneda, K Hirao*
Molecular Physics 103 (6-8), 1151-1164, 2005
1292005
Self-interaction corrections in density functional theory
T Tsuneda, K Hirao
The Journal of chemical physics 140 (18), 2014
1142014
Long-range corrected density functional theory study on static second hyperpolarizabilities of singlet diradical systems
R Kishi, S Bonness, K Yoneda, H Takahashi, M Nakano, E Botek, ...
The Journal of chemical physics 132 (9), 2010
1022010
Study of low‐lying electronic states of ozone by multireference Mo/ller–Plesset perturbation method
T Tsuneda, H Nakano, K Hirao
The Journal of chemical physics 103 (15), 6520-6528, 1995
1001995
Theoretical study of the excitation spectra of five‐membered ring compounds: Cyclopentadiene, furan, and pyrrole
H Nakano, T Tsuneda, T Hashimoto, K Hirao
The Journal of chemical physics 104 (6), 2312-2320, 1996
921996
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Articles 1–20