2001 - Development of Density functional Theory for calculation of large molecules
1994 - 密度汎関数法の新しい交換相関汎関数の開発
1994 - Development of a new exchange-correlation functional in density functional theory
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論文 (100件)：
Takeshi Hara, Masatoshi Hasebe, Takao Tsuneda, Toshio Naito, Yuiga Nakamura, Naoyuki Katayama, Tetsuya Taketsugu, Hiroshi Sawa. Unveiling the Nature of Chemical Bonds in Real Space. Journal of the American Chemical Society. 2024
Takao Tsuneda, Tetsuya Taketsugu. Singlet Fission as the Gateway to Triplet Generation in Heavy Atom-Free Organic Molecules. The Journal of Physical Chemistry Letters. 2024. 15. 6676-6684
Takao Tsuneda, Tetsuya Taketsugu. Roles of Singlet Fission in the Photosensitization of Silicon Phthalocyanine. Journal of Physical Chemistry Letters. 2023. 14. 11587-11596
Masatoshi Hasebe, Takuro Tsutsumi, Tetsuya Taketsugu, Takao Tsuneda. Total and orbital density-based analyses of molecules revealing long-range interaction regions. Journal of Computational Chemistry. 2023. 44. 2391-2403
On the fly excited state molecular dynamics study based on spin flip TDDFT approach: photoisomerization of stilbene and stilbene derivatives
Time-Dependent Density Functional Theory: Nonadiabatic Molecular Dynamics (Jenny Stanford Publishing) 2022
化学便覧 基礎編 改訂6版
丸善出版 2020
Time-Dependent Density Functional Theory
Apple Academic Press 2018
Density Functional Theory in Quantum Chemistry
Springer 2014
Reaction analysis based on orbital energies: An advanced reaction orbital theory
(The International Summer workshop 2018 on First-Principles Electronic Structure Calculations in ISSP (ISS2018) 2018)
