Kenji Sugisaki, Hiroyuki Wakimoto, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Takeji Takui. Quantum Algorithm for Numerical Energy Gradient Calculations at the Full Configuration Interaction Level of Theory. The Journal of Physical Chemistry Letters. 2022. 11105-11111
Takumi Wada, Yoshimitsu Tachi, Kazuo Toyota, Masatoshi Kozaki. Platinum octaethylporphyrin-diphenylanthracene dyad with an ethynylene linker. Tetrahedron Letters. 2022. 108
Kenji Sugisaki, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Takeji Takui. Adiabatic state preparation of correlated wave functions with nonlinear scheduling functions and broken-symmetry wave functions. Communications Chemistry. 2022. 5. 84
Kenji Sugisaki, Chikako Sakai, Kazuo Toyota, Kazunobu Sato, Daisuke Shiomi, Takeji Takui. Quantum Algorithm for Full Configuration Interaction Calculations without Controlled Time Evolutions. The Journal of Physical Chemistry Letters. 2021. 11085-11089
Takashi Kawaguchi, Kosei Kitagawa, Kazuo Toyota, Masatoshi Kozaki, Keiji Okada, Nobuaki Nakashima, Tomoyuki Yatsuhashi. Smallest Organic Tetracation in the Gas Phase: Stability of Multiply Charged Diiodoacetylene Produced in Intense Femtosecond Laser Fields. The Journal of Physical Chemistry A. 2021. 125. 36. 8014-8024
Theoretical calculation of zero-field splitting tensor of purely organic compounds in triplet excited states
(The 13th Japanese-Russian Workshop 2019)
Quantum Chemical Calculation of Molecular Properties by Triplet SAC-CI Method
(The 5th International WS on Quantum Chemistry/Quantum Chemical Calculations on Quantum Computers: Quantum Algorithms 2018 2018)
Formulation of coupling anisotropy function for symmetry-adapted-cluster configuration-interaction theory
(Theoretical Design of Materials with Innovative Functions Based on Element Strategy and Relativistic Electronic Theory 2017)