Books, Refereed reviews & proceedings
Single author books
1. Takao Tsuneda, ``Density Functional Theory in Quantum Chemistry’’ (Springer).
2. Takao Tsuneda，``Foundation of Density Functional Theory'' (in Japanese) (Kodansha).
Coauthor books
1. T. Tsuneda and K. Hirao, ``A transversing physical connection between kinetic, exchange, and correlation functionals'', in Reviews on Modern Quantum Chemistry: A Celebration of the Contributions of Robert G. Parr, Eds. R. G. Parr and K. D. Sen (World Scientific, Singapore, 2002) .
2. T. Yanai, H. Nakano, T. Nakajima, T. Tsuneda, S. Hirata, Y. Kawashima, Y. Nakao, M. Kamiya, H. Sekino, and K. Hirao, ``UTChem – A Program for ab initio Quantum Chemistry’’, in Computational Science –ICCS 2003, Lecture Notes in Computer Science, 84-95 (Springer, 2003).
3. H. Nakano, T. Nakajima, T. Tsuneda, and K. Hirao, ``Recent Advances in ab initio, DFT, and Relativistic Electronic Structure Theory'', in Theory and Applications of Computational Chemistry: The First Forty Years, Eds. C. Dykstra, G. Frenking, K. Kim and G.E. Scuseria, pp. 507-557 (Elsevier Science, Amsterdam, 2006).
4. T. Tsuneda and T. Taketsugu, ``π-Stacking on Density Functional Theory: A review’’, in π-Stacked Polymers and Molecules, Ed. T. Nakano, pp245-270 (Springer, 2013).
5. Takao Tsuneda，``Density Functional Theory for Complex Chemistry'' (in Japanese), in ``Quantum and Computational Chemistry for Metal Complex'' (Yamaguchi, Sakaki & Masuda Eds.) (Sankyo Shuppan, 2014).
6. T. Tsuneda and K. Hirao, ``Time-Dependent Density Functional Theory’’, in Theoretical and Quantum Chemistry at the 21st Century Dawn End, Eds. T. Chakraborty and R. Carbo (Apple Academic Press, 2017).
7. Takao Tsuneda，``2.1 Molecular structures & 2.2 Thermal properties in Chap. 17'' (in Japanese) in ``Enchiridion for Chemistry'' (Maruzen, 2021).
8. T. Taketsugu, T. Tsutsumi, Y. Harabuchi, and T. Tsuneda, ``On-the-fly excited-state molecular dynamics study based on spin-flip TDDFT approach: photoisomerization of stilbene and stilbene derivatives’, in Nonadiabatic dynamics in time-dependent density functional theory (2022), in press.
Refereed reviews
1. H. Nakano, T. Nakajima, T. Tsuneda, and K. Hirao, ``Research activities of the theoretical chemistry group at the University of Tokyo’’, J. Mol. Struct. (Theochem), vol. 573, pp91-128, 2001.
2. T. Nakajima, T. Tsuneda, H. Nakano and K. Hirao, ``RECENT ADVANCES IN ELECTRONIC STRUCTURE THEORY'', J. Theoret. Comput. Chem., vol. 1, pp109-136, 2002.
3. 常田 貴夫，佐藤 健，「密度汎関数法によるファンデルワールス力第一原理計算」, 日本物理学会誌2月号: 特集「電子状態の第一原理計算の現状と課題」(日本物理学会), 2009.
4. T. Tsuneda and K. Hirao, ``Long-range Correction for Density Functional Theory’’, WIREs Computational Molecular Science, vol. 4, 375 - 390, 2014.
5. 常田 貴夫，「相対論的密度汎関数法」，日本コンピュータ化学会誌 特集号「相対論的量子化学とその周辺」(Journal of Computer Chemistry, Japan, vol. 13)，pp71-82, 2014．
6. T. Tsuneda and K. Hirao, ``Self-interaction corrections in density functional theory’’, J. Chem. Phys., vol. 140, 18A513(1 - 13), 2014.
7. T. Tsuneda, ``Chemical reaction analyses based on orbitals and orbital energies’’, Int. J. Quantum Chem. Special Issue on ``Theoretical Chemistry in Japan’’ vol. 115, 270 - 282, 2015.
8. T. Tsuneda, ``Density Functional Theory as a Data Science’’, Chem. Rec., vol. 19, 1 - 23, 2019.
9. 常田 貴夫，「量子化学計算の現在と近未来」，化学と教育 71巻5号「新・講座」(日本化学会)，vol. 71, 200-203, 2023.
Refereed proceedings
1. T. Hattori, T. Toraishi, T. Tsuneda, and S. Tanaka, ``Investigations of poor DFT calculations of actinides: Reduction of UO22+ ion'', LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES, vol. 7A, Recent Progress in Computational Sciences and Engineering, pp551-554, 2006.
2. T. Tsuneda and K. Hirao, ``A new hybrid DFT functional - accurate description of response properties and van der Waals interactions '', in LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES, vol. 6, Trends and Perspectives in Modern Computational Science, pp155-164, 2006.
3. T. Toraishi and T. Tsuneda, ``Molecular Property of Protoactinyl(V) and Uranyl(VI) oxocations: A Density Functional Theory Study '', in LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES, vol. 7A, Recent Progress in Computational Sciences and Engineering, pp543-546, 2006.
4. T. Toraishi, T. Tsuneda, and S. Tanaka, ``Mechanisms of Energy Transfer Luminescence of Lanthanide Complexes: A Time-Dependent Density Functional Theory Study'', LECTURE SERIES ON COMPUTER AND COMPUTATIONAL SCIENCES, vol. 7A, Recent Progress in Computational Sciences and Engineering, pp547-550, 2006.
5. R. Kishi, S. Bonness, K. Yoneda, T. Kubo, K. Kamada, K. Ohta, B. Champagne, E. Botek, T. Tsuneda, and M. Nakano, ``Long-range-corrected UDFT study on second hyperpolarizabilities of open-shell singlet systems’’, Computational Methods in Science and Engineering, AIP Conf. Proc., vol. 1504, pp651–654, 2012.
6. T. Tsuneda, ``A Multiconfigurational Density Functional Theory'', Computational Methods in Science and Engineering, AIP Conf. Proc. vol. 1504, pp903–906, 2012.