Theoretical study on the excited states of psoralen compounds bonded to a thymine residue. - Ayako Nakata; T. Baba; H. Takahashi; Hiromi Nakai (J. Comput. Chem., 2004)

Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory. - Takashi Tsuchimochi; Masato Kobayashi; Ayako Nakata; Yutaka Imamura; Hiromi Nakai (J. Comput. Chem., 2008)

Modified regional self-interaction corrected time-dependent density functional theory for core excited-state calculations. - Ayako Nakata; Takao Tsuneda; Kimihiko Hirao (J. Comput. Chem., 2009)

Relationship between orbital energy gaps and excitation energies for long-chain systems. - Takao Tsuneda; Raman K. Singh; Ayako Nakata (J. Comput. Chem., 2016)

On low-lying excited states of extended nanographenes. - Takao Tsuneda; Raman K. Singh; Ayako Nakata (J. Comput. Chem., 2017)