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 | 2494 | 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 | 2065 | 2004 |
On Koopmans’ theorem in density functional theory T Tsuneda, JW Song, S Suzuki, K Hirao The Journal of chemical physics 133 (17), 2010 | 487 | 2010 |
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 | 334 | 1999 |
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 | 317 | 2005 |
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 | 316 | 2007 |
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 | 311 | 2002 |
Density Functional Theory in Quantum Chemistry T Tsuneda Springer Verlag, Japan, 2014 | 298* | 2014 |
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 | 253 | 2008 |
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 | 253 | 2000 |
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 | 225 | 2005 |
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 | 217 | 2006 |
Long‐range correction for density functional theory T Tsuneda, K Hirao Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (4), 375-390, 2014 | 168 | 2014 |
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 | 160 | 2007 |
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 | 131 | 1998 |
Van der Waals interactions studied by density functional theory T Sato, T Tsuneda, K Hirao* Molecular Physics 103 (6-8), 1151-1164, 2005 | 130 | 2005 |
Self-interaction corrections in density functional theory T Tsuneda, K Hirao The Journal of chemical physics 140 (18), 2014 | 117 | 2014 |
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 | 102 | 2010 |
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 | 98 | 1995 |
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 | 93 | 1996 |