Takao Tsuneda

发表

Regional self‐interaction correction of density functional theory

Kimihiko Hirao, Takao Tsuneda, Muneaki Kamiya, 2003, J. Comput. Chem..

Reactivity index based on orbital energies

Takao Tsuneda, Raman K. Singh, T. Tsuneda, 2014, J. Comput. Chem..

Investigation of the use of density functionals in second‐ and third‐row transition metal dimer calculations

Kimihiko Hirao, Takao Tsuneda, Susumu Yanagisawa, 2001, J. Comput. Chem..

Relationship between orbital energy gaps and excitation energies for long‐chain systems

Takao Tsuneda, Raman K. Singh, Ayako Nakata, 2016, J. Comput. Chem..

Theoretical investigations on geometrical and electronic structures of silver clusters

Takao Tsuneda, T. Tsuneda, 2018, J. Comput. Chem..

UTChem - A Program for ab initio Quantum Chemistry

So Hirata, Yukio Kawashima, Kimihiko Hirao, 2003, International Conference on Computational Science.

Modified regional self‐interaction corrected time‐dependent density functional theory for core excited‐state calculations

Kimihiko Hirao, Takao Tsuneda, Ayako Nakata, 2009, J. Comput. Chem..

On low‐lying excited states of extended nanographenes

Takao Tsuneda, Raman K. Singh, Ayako Nakata, 2017, J. Comput. Chem..

Reaction energetics on long‐range corrected density functional theory: Diels–Alder reactions

Takao Tsuneda, Raman K. Singh, T. Tsuneda, 2013, J. Comput. Chem..

A dual‐level state‐specific time‐dependent density‐functional theory

Takeshi Sato, Kimihiko Hirao, Takahito Nakajima, 2008, J. Comput. Chem..

Orbital Energy-Based Reaction Analysis of SN2 Reactions

Satoshi Maeda, Takao Tsuneda, Yu Harabuchi, 2016, Comput..

A density functional study of van der Waals interactions

Kimihiko Hirao, Takao Tsuneda, Muneaki Kamiya, 2002 .

An examination of density functional theories on isomerization energy calculations of organic molecules

Kimihiko Hirao, Jong-Won Song, Takao Tsuneda, 2011 .

An efficient state-specific scheme of time-dependent density functional theory

Kimihiko Hirao, Takao Tsuneda, Mahito Chiba, 2006 .

A reexamination of exchange energy functionals

Kimihiko Hirao, Takao Tsuneda, K. Hirao, 1999 .

Calculations of alkane energies using long-range corrected DFT combined with intramolecular van der Waals correlation.

Kimihiko Hirao, Jong-Won Song, Takao Tsuneda, 2010, Organic letters.

Self-interaction corrections in density functional theory.

Kimihiko Hirao, Takao Tsuneda, K. Hirao, 2014, The Journal of chemical physics.

On Koopmans' theorem in density functional theory.

Kimihiko Hirao, Satoshi Suzuki, Jong-Won Song, 2010, The Journal of chemical physics.

Long-range corrected density functional calculations of chemical reactions: redetermination of parameter.

Kimihiko Hirao, Jong-Won Song, Takao Tsuneda, 2007, The Journal of chemical physics.

Modified regional self-interaction correction method based on the pseudospectral method.

Kimihiko Hirao, Takao Tsuneda, Ayako Nakata, 2010, The journal of physical chemistry. A.

A NEW ONE-PARAMETER PROGRESSIVE COLLE-SALVETTI-TYPE CORRELATION FUNCTIONAL

Kimihiko Hirao, Takao Tsuneda, K. Hirao, 1999 .

Long-range corrected density functional study on weakly bound systems: balanced descriptions of various types of molecular interactions.

Takao Tsuneda, T. Tsuneda, Takeshi Sato, 2007, The Journal of chemical physics.

A density-functional study on pi-aromatic interaction: benzene dimer and naphthalene dimer.

Kimihiko Hirao, Takao Tsuneda, K. Hirao, 2005, The Journal of chemical physics.

Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn-Sham method.

Kimihiko Hirao, Hideo Sekino, Takao Tsuneda, 2005, The Journal of chemical physics.

Excited state geometry optimizations by analytical energy gradient of long-range corrected time-dependent density functional theory.

Kimihiko Hirao, Takao Tsuneda, Mahito Chiba, 2006, The Journal of chemical physics.