Yutaka Imamura - researchr alias

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Viewing Publication 1 - 10 from 10

2021

De novo generation of optically active small organic molecules using Monte Carlo tree search combined with recurrent neural networkMotomichi Tashiro, Yutaka Imamura, Michio Katouda. jcc, 42(3):136-143, 2021. [doi]

2020

Spatial Habitat Shifts of Oceanic Cephalopod (Ommastrephes bartramii) in Oscillating ClimateIrene D. Alabia, Sei-Ichi Saitoh, Hiromichi Igarashi, Yoichi Ishikawa, Yutaka Imamura. remotesensing, 12(3):521, 2020. [doi]

2015

Local response dispersion method in periodic systems: Implementation and assessmentYasuhiro Ikabata, Yusuke Tsukamoto, Yutaka Imamura, Hiromi Nakai. jcc, 36(5):303-311, 2015. [doi]

2013

Linearity condition for orbital energies in density functional theory (III): Benchmark of total energiesYutaka Imamura, Rie Kobayashi, Hiromi Nakai. jcc, 34(14):1218-1225, 2013. [doi]

Kinetic energy decomposition scheme based on information theoryYutaka Imamura, Jun Suzuki, Hiromi Nakai. jcc, 34(32):2787-2795, 2013. [doi]

2011

Construction of orbital-specific hybrid functional by imposing the linearity condition for orbital energies in density functional theoryYutaka Imamura, Rie Kobayashi, Hiromi Nakai. procedia, 4:1151-1156, 2011. [doi]

2008

Colle-Salvetti-type correction for electron-nucleus correlation in the nuclear orbital plus molecular orbital theoryYutaka Imamura, Hiroyoshi Kiryu, Hiromi Nakai. jcc, 29(5):735-740, 2008. [doi]

Energy density analysis for second-order Møller-Plesset perturbation theory and coupled-cluster theory with singles and doubles: Application to C::2::H::4::-CH::4:: complexesYutaka Imamura, Hiromi Nakai. jcc, 29(10):1555-1563, 2008. [doi]

Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theoryTakashi Tsuchimochi, Masato Kobayashi, Ayako Nakata, Yutaka Imamura, Hiromi Nakai. jcc, 29(14):2311-2316, 2008. [doi]

2007

Description of core excitations by time-dependent density functional theory with local density approximation, generalized gradient approximation, meta-generalized gradient approximation, and hybrid functionalsYutaka Imamura, Takao Otsuka, Hiromi Nakai. jcc, 28(12):2067-2074, 2007. [doi]

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