[1]. All-electron first-principles GWΓ simulations for accurately predicting core-electron binding energies considering first-order three-point vertex corrections The Journal of Chemical Physics 161/ 154102-1-154102-9 (2024年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Kenta Yoneyama, Yoshifumi Noguchi, and Kaoru Ohno [DOI] [2]. Experimental and Theoretical Study for Core Excitation of Firefly Luciferin in Carbon K‐Edge Spectra The Journal Physical Chemistry A 128/ 611-617 (2024年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Yuto Kudo, Fumitoshi Kumaki, Masanari Nagasaka, Jun-ichi Adachi, Yoshifumi Noguchi, Nobuaki Koga, Hideyuki Itabashi, and Miyabi Hiyama [DOI] [3]. Significant contributions of second-order exchange terms in GW electron–hole interaction kernel for charge-transfer excitations The Journal of Chemical Physics 159/ 234105/1-234105/10 234105 (2023年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Satoka Yamada and Yoshifumi Noguchi [DOI] [4]. Quantum yield of near-infrared bioluminescence with firefly luciferin analog: AkaLumine Journal of Photochemistry & Photobiology, A: Chemistry 434/ 114270/1-114270/6 (2022年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Ryohei Ono, Keita Osawa, Yutaka Takahashi, Yoshifumi Noguchi, Nobuo Kitada, Ryohei Saito-Moriya, Takashi Hirano, Shojiro A. Maki, Keisei Shibata, Hidefumi Akiyama, Ken-ichiro Kanno, Hideyuki Itabashi, and Miyabi Hiyama [DOI] [5]. Development of the Bethe-Salpeter method considering second-order corrections for a GW electron-hole interaction kernel Physical Review B 106/ 045113/1-045113/13 (2022年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Satoka Yamada, Yoshifumi Noguchi, Kohei Ishii, Daichi Hirose, Osamu Sugino, and Kaoru Ohno [DOI] [6]. Fragment-Based Excited-State Calculations Using the GW Approximation and the Bethe−Salpeter Equation The Journal Physical Chemistry A 125/ 10580-10592 (2021年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Takatoshi Fujita and Yoshifumi Noguchi [DOI] [7]. Exciton maps for thermally activated delayed fluorescence active/inactive carbazole benzonitrile derivatives The Journal of Chemical Physics 155/ 204302/1-204302/8 (2021年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi [DOI] [8]. Absorption Spectra for Firefly Bioluminescence Substrate Analog:TokeOni in Various pH Solutions Photochemistry and Photobiology 97/5 1016-1022 (2021年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Haruhisa Ogawa, Ryohei Ono, Yoshifumi Noguchi, Nobuo Kitada, Ryohei Saito-Moriya, Shojiro A. Maki, Hidefumi Akiyama, Hideyuki Itabashi, and Miyabi Hiyama [DOI] [9]. Quantum-mechanical hydration plays critical role in the stability of firefly oxyluciferin isomers: State-of-the-art calculations of the excited states The Journal of Chemical Physics 153/ 201103/1-201103/6 (2020年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Hidefumi Akiyama, and Osamu Sugino [DOI] [10]. Revisiting the Charge-Transfer States at Pentacene/C60 Interfaces with the GW/Bethe–Salpeter Equation Approach materials 13/ 2728/1-2728/15 (2020年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Takatoshi Fujita, Yoshifumi Noguchi, and Takeo Hoshi [11]. Photoabsorption Spectra of Aqueous Oxyluciferin Anions Elucidated by Explicit Quantum Solvent Journal of Chemical Theory and Computation 15/ 5474-5482 (2019年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Hidefumi Akiyama, and Osamu Sugino [DOI] [12]. Charge-transfer excited states in the donor/ acceptor interface from large-scale GW calculations The Journal of Chemical Physics 151/11 114109-1-114109-8 (2019年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Takatoshi Fujita, Yoshifumi Noguchi, and Takeo Hoshi [DOI] [13]. Development of the fragment-based COHSEX method for large and complex molecular systems Physical Review B 98/ 205140/1-205140/10 (2018年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Takatoshi Fujita and Yoshifumi Noguchi [DOI] [14]. Optical properties of six isomers of three dimensionally delocalized π-conjugated carbon nanocage The European Physical Journal B 91/ 125/1-125/7 (2018年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Daichi Hirose, and Osamu Sugino [DOI] [15]. High-Lying Triplet Excitons of Thermally Activated Delayed Fluorescence Molecules Journal of Physical Chemistry C 121/ 20687-20695 (2017年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi and Osamu Sugino [16]. GW+BSE法による励起スペクトル計算 固体物理 52/ 133-140 (2017年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] 野口良史、杉野修 [17]. Molecular Size Insensitivity of Optical Gap of [n]Cycloparaphenylenes (n = 3-16) The Journal of Chemical Physics 146/ 144304/1-144304/7 (2017年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi and Osamu Sugino [18]. Effect of dynamical fluctuation of hydration structures on absorption spectra of oxylucifein in aqueous solutions PhysChemChemPhys 19/ 10028-10035 (2017年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Miyabi Hiyama, Motoyuki Shiga, Nobuaki Koga, Osamu Sugino, Hidefumi Akiyama, and Yoshifumi Noguchi [19]. Quantitative characterization of exciton from GW+Bethe-Salpeter calculation The Journal of Chemical Physics 146/ 044303/1-044303/10 (2017年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Daichi Hirose, Yoshifumi Noguchi, and Osamu Sugino [20]. GWΓ+Bethe-Salpeter equation approach for photoabsorption spectra: Importance of self-consistent GWΓ calculations in small atomic systems Physical Review B 94/ 121116-1-121116-5 (2016年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Riichi Kuwahara, Yoshifumi Noguchi, and Kaoru Ohno [21]. Reverse Stability of Oxyluciferin Isomers in Aqueous Solutions Journal of Physical Chemistry B 120/ 8776-8783 (2016年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Osamu Sugino, and Hidefumi Akiyama [22]. TOMBO: all-electron mixed basis approach to condensed matter physics Computational Physics Communications 189/ 20-30 (2015年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Shota Ono, Yoshifumi Noguchi, Ryoji Sahara, Yoshiyuki Kawazoe, and Kaoru Ohno [23]. All-Electron First-Principles GW+Bethe-Salpeter Program: Development & Applications ISSP Supercomputer center Activity Report 2014 巻頭論文 / 15-22 (2015年) [査読] 無 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi [24]. Vibronic Structure in Absorption and Fluorescence Spectra of Firefly Oxyluciefin in Aqueous Solutions Photochemistry and Photobiology 91/ 819-827 (2015年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Miyabi Hiyama, Yoshifumi Noguchi, Hidefumi Akiyama, and Kenta Yamada [25]. All-electron GW+Bethe-Salpeter calculations for small molecules Physical Review B 91/ 205111/1-205111/8 (2015年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Daichi Hirose, Yoshifumi Noguchi, and Osamu Sugino [26]. First-Principles Investigation of Strong Excitonic Effects in Oxygen 1s X-Ray Absorption Spectra Journal of Chemical Theory and Computation 11/ 1668-1673 (2015年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, Yoshihisa Harada, and Nobuaki Koga [27]. Symmetry breaking and excitonic effects on optical properties of defective nanographenes The Journal of Chemical Physics 142/ 064313/1-064313/7 (2015年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi and Osamu Sugino [28]. First-Principles Investigation on Rydberg and Resonance Excitations: A Case Study of the Firefly Luciferin Anion The Journal of Chemical Physics 141/ 044309/1-044309/6 (2014年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, and Nobuaki Koga [29]. First-Principles Investigation on Optical Properties of Firefly Luciferin Anion LUMINESCENCE 29/ 86-87 (2014年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, and Nobuaki Koga [30]. First-Principles Investigation on Structural and Optical Properties of M+@C60 (Where M = H, Li, Na, and K) The Journal of Physical Chemistry C 117/ 15362-15368 (2013年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Osamu Sugino, Hiroshi Okada, and Yutaka Matsuo [31]. A GW+Bethe-Salpeter calculation on photoabsorption spectra of (CdSe)3 and (CdSe)6 clusters The Journal of Chemical Physics 137/ 024306/1-024306/5 (2012年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Osamu Sugino, Momoko Nagaoka, Soh Ishii, and Kaoru Ohno [32]. 超大規模並列計算に向けた全電子第一原理グリーン関数法の開発 ナノ学会会報 98/ 61-67 (2011年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] 野口良史 [33]. All-electron first-principles GW+Bethe-Salpeter calculation for optical absorption spectra of sodium clusters Physical Review A 81/ 045201/1-045201/4 (2010年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi and Kaoru Ohno [34]. Cluster size dependence of double ionization energy spectra of spin-polarized aluminum and sodium clusters: All-electron spin-polarized GW+T-matrix method Physical Review B 81/ 165411/1-165411/9 (2010年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki [35]. First-Principles Calculation of Photoabsorption Spectra of Cadmium Selenide Clusters Materials Transactions 49/ 2420-2423 (2008年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Momoko Nagaoka, Soh Ishii, Yoshifumi Noguchi, and Kaoru Ohno [36]. Quasiparticle energy spectra of alkali-metal clusters: All-electron first-principles calculation The Journal of Chemical Physics 129/ 104104/1-104104/7 (2008年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, and Taizo Sasaki [37]. First principles T-matrix calculations for Auger spectra of hydrocarbon systems Physical Review B 77/ 035132/1-035132/5 (2008年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki [38]. First Principles Calculations of Double Ionization Energy Spectra and Two-electron Distribution Function Using T-matrix Theory Journal of Electron Spectroscopy and Related Phenomena 156/ 155-157 (2007年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno [39]. Electronic and electron-transport properties of peanut-shaped C60 polymers Journal of Physcs: Conference Series 61/ 899-903 (2007年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Jun Onoe, T. Ochiai, Takahiro Ito, Shin-ichi Kimura, Sho Ueda, Yoshifumi Noguchi, and Kaoru Ohno [40]. The valence electronic structure of cross-linked C60 polymers: In situ high-resolution photoelectron spectroscopic and density-functional studies Physical Review B 75/ 233410/1-233410/4 (2007年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Jun Onoe, Takahiro Ito, Shin-ichi Kimura, Kaoru Ohno, Yoshifumi Noguchi, and Sho Ueda [41]. Short-range electron correlations of CO2 molecule by first principles T-matrix calculations Materials Transactions 48/ 638-640 (2007年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno [42]. Optimized 3D structures and energy bands of peanut-shaped C60 polymers The European Physical Journal D 43/ 137-140 (2007年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Kaoru Ohno, Yoshifumi Noguchi, Sho Ueda, and Jun Onoe [43]. Two-electron Distribution Functions and Short-range Electron Correlations of Atoms and Molecules by First Principles T-matrix Calculations The Journal of Chemical Physics 125/ 114108/1-114108/6 (2006年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno [44]. Dimensional dependence of electronic structure of fullerene polymers The Journal of Physical Chemistry B 110/ 22374-22381 (2006年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Sho Ueda, Kaoru Ohno, Yoshifumi Noguchi, Soh, Ishii, and Jun Onoe [45]. Significant Reduction of On-site Coulomb Energy U due to Short-range Correlation in an Organic Mott Insulator Chem Phys Chem 7/ 1820-1824 (2006年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Kaoru Ohno, Yoshifumi Noguchi, Toshihiro Yokoi, Soh Ishii, Jun Takeda, and Miou Furuya [46]. First-principles Green's Function Study on Electronic Excited States of Molecules Journal of Physics: Conference Series 29/ 39-44 (2006年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Kaoru Ohno, Soh Ishii, and Yoshifumi Noguchi [47]. First-Principles T-matrix Calculations of Double Ionization Energy Spectra of Atoms and Molecules The Journal of Chemical Physics 123/ 144112/1-144112/5 (2005年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Yohei Kudo, Soh Ishii, and Kaoru Ohno [48]. Instability of Dianions of Alkali-Metal Clusters Materials Transactions 46/ 1103-1105 (2005年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno [49]. Calculation of Energy Bands for Peanuts-Shaped Fused Fullerene Polymers Journal of Metastable & Nanocrystalline Materials 24/ 249-252 (2005年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Sho Ueda, Yoshifumi Noguchi, Soh Ishii, Jun Onoe, and Kaoru Ohno [50]. First-Principle Calculations of Hydrogen-Terminated Si(100)2×1 Surface with Missing Dimmers Journal of Metastable & Nanocrystalline Materials 24/ 245-248 (2005年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Satoru Masatsuji, Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno [51]. First-principles calculations of optical absorption spectra of atoms in the vacuum and crystals Computational Materials Science 36/ 125-129 (2005年) [査読] 無 [国際共著論文] 該当しない [責任著者・共著者の別] 共著者 [著者] Kaoru Ohno, Miou Furuya, Soh Ishii, Yoshifumi Noguchi, Shohei Iwata, Yoshiyuki Kawazoe, Shinichiro Nagasaka, Takehisa Yoshinari, and Yoshio Takahashi [52]. Double Ionization Energy Spectra of Small Alkali-metal Clusters Science and Technology of Advanced Materials 5/ 663-665 (2004年) [査読] 有 [国際共著論文] 該当しない [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Soh Ishii, Yoshiyuki Kawazoe, and Kaoru Ohno [53]. Dielectric Function of (CdSe)13 Clusters Transaction of the Materials Research Society of Japan 29/ 3723-3725 (2003年) [査読] 有 [国際共著論文] 該当する [責任著者・共著者の別] 責任著者 [著者] Yoshifumi Noguchi, Kaoru Ohno, Vijay Kumar, Yoshiyuki Kawazoe, Yurii Barnakov, and Atsuo Kasuya |