Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionals. - Yutaka Imamura; Takao Otsuka; Hiromi Nakai (J. Comput. Chem., 2007)

Colle-Salvetti-type correction for electron-nucleus correlation in the nuclear orbital plus molecular orbital theory. - Yutaka Imamura; Hiroyoshi Kiryu; Hiromi Nakai (J. Comput. Chem., 2008)

Energy density analysis for second-order Møller-Plesset perturbation theory and coupled-cluster theory with singles and doubles: Application to C2H4-CH4 complexes. - Yutaka Imamura; Hiromi Nakai (J. Comput. Chem., 2008)

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)

Construction of orbital-specific hybrid functional by imposing the linearity condition for orbital energies in density functional theory. - Yutaka Imamura; Rie Kobayashi; Hiromi Nakai (ICCS, 2011)

Linearity condition for orbital energies in density functional theory (III): Benchmark of total energies. - Yutaka Imamura; Rie Kobayashi; Hiromi Nakai (J. Comput. Chem., 2013)

Kinetic energy decomposition scheme based on information theory. - Yutaka Imamura; Jun Suzuki 003; Hiromi Nakai (J. Comput. Chem., 2013)

Local response dispersion method in periodic systems: Implementation and assessment. - Yasuhiro Ikabata; Yusuke Tsukamoto; Yutaka Imamura; Hiromi Nakai (J. Comput. Chem., 2015)

Spatial Habitat Shifts of Oceanic Cephalopod (Ommastrephes bartramii) in Oscillating Climate. - Irene D. Alabia; Sei-Ichi Saitoh; Hiromichi Igarashi; Yoichi Ishikawa; Yutaka Imamura (Remote. Sens., 2020)

De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural network. - Motomichi Tashiro; Yutaka Imamura; Michio Katouda (J. Comput. Chem., 2021)