静岡大学

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Researcher DataBase - Personal Information : NOGUCHI Yoshifumi

Papers, etc.

【Papers, etc.】
[1]. First-principles self-interaction free GWΓ simulations for first ionization potentials and electron affinities The Journal of Chemical Physics 164/ 144110/1-144110/12 144110 (2026) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Tamao Isago, Yoshifumi Noguchi, and Kaoru Ohno [DOI] [2]. 23/ R002-1-R002-8 (2026) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] 野口良史 [DOI] [3]. Expanding the Toolbox for Hydrogen Atom Transfer Catalysis: Sulfides as Structurally Diverse Catalysts Under Photoredox Conditions Advanced Synthesis & Catalysis 368/ 1-8 e70293 (2026) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Tetsuya Sengoku, Shun Nishioka, Yu Kokoda, Yoshifumi Noguchi, and Toshiyasu Inuzuka [DOI] [4]. Second harmonic generation of nonpoled polyurea thin film prepared via vapor deposition polymerization method Japanese Journal of Applied Physics 64/ 072003/1-072003/6 (2025) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Atsushi Sugita, Shusaku Nandate, Tatsumi Kitamura, Yoshifumi Noguchi, Ryosuke Matsubara, Masayoshi Kamiya, and Atsushi Kubono [DOI] [5]. Absorption and fluorescence properties and assignments of firefly bioluminescence substrate analog: seMpai Photochemistry and Photobiology 102/ 237-247 (2025) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Masahiro Harada, Yoshifumi Noguchi, Takashi Hirano, Ken- ichiro Kanno, Tomoya Nakano, Ryohei Ono, Tamotsu Uchiyama, Ryohei Saito- Moriya, Nobuo Kitada, Shojiro A. Maki, Hiroshi Aoyama, Masataka Kobayashi, Hidefumi Akiyama, Hideyuki Itabashi, Miyabi Hiyama [DOI] [6]. Significance of self-interaction corrections in the GWΓ method Physical Review B 111/ 195146/1-195146/8 (2025) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Tamao Isago, Yoshifumi Noguchi, and Kaoru Ohno [DOI] [7]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Kenta Yoneyama, Yoshifumi Noguchi, and Kaoru Ohno [DOI] [8]. Experimental and Theoretical Study for Core Excitation of Firefly Luciferin in Carbon K‐Edge Spectra The Journal Physical Chemistry A 128/ 611-617 (2024) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Yuto Kudo, Fumitoshi Kumaki, Masanari Nagasaka, Jun-ichi Adachi, Yoshifumi Noguchi, Nobuaki Koga, Hideyuki Itabashi, and Miyabi Hiyama [DOI] [9]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Satoka Yamada and Yoshifumi Noguchi [DOI] [10]. Quantum yield of near-infrared bioluminescence with firefly luciferin analog: AkaLumine Journal of Photochemistry & Photobiology, A: Chemistry 434/ 114270/1-114270/6 (2022) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] 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] [11]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Satoka Yamada, Yoshifumi Noguchi, Kohei Ishii, Daichi Hirose, Osamu Sugino, and Kaoru Ohno [DOI] [12]. Fragment-Based Excited-State Calculations Using the GW Approximation and the Bethe−Salpeter Equation The Journal Physical Chemistry A 125/ 10580-10592 (2021) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Takatoshi Fujita and Yoshifumi Noguchi [DOI] [13]. Exciton maps for thermally activated delayed fluorescence active/inactive carbazole benzonitrile derivatives The Journal of Chemical Physics 155/ 204302/1-204302/8 (2021) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi [DOI] [14]. Absorption Spectra for Firefly Bioluminescence Substrate Analog:TokeOni in Various pH Solutions Photochemistry and Photobiology 97/5 1016-1022 (2021) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Haruhisa Ogawa, Ryohei Ono, Yoshifumi Noguchi, Nobuo Kitada, Ryohei Saito-Moriya, Shojiro A. Maki, Hidefumi Akiyama, Hideyuki Itabashi, and Miyabi Hiyama [DOI] [15]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Hidefumi Akiyama, and Osamu Sugino [DOI] [16]. Revisiting the Charge-Transfer States at Pentacene/C60 Interfaces with the GW/Bethe–Salpeter Equation Approach materials 13/ 2728/1-2728/15 (2020) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Takatoshi Fujita, Yoshifumi Noguchi, and Takeo Hoshi [17]. Photoabsorption Spectra of Aqueous Oxyluciferin Anions Elucidated by Explicit Quantum Solvent Journal of Chemical Theory and Computation 15/ 5474-5482 (2019) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Hidefumi Akiyama, and Osamu Sugino [DOI] [18]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Takatoshi Fujita, Yoshifumi Noguchi, and Takeo Hoshi [DOI] [19]. Development of the fragment-based COHSEX method for large and complex molecular systems Physical Review B 98/ 205140/1-205140/10 (2018) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Takatoshi Fujita and Yoshifumi Noguchi [DOI] [20]. Optical properties of six isomers of three dimensionally delocalized π-conjugated carbon nanocage The European Physical Journal B 91/ 125/1-125/7 (2018) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Daichi Hirose, and Osamu Sugino [DOI] [21]. High-Lying Triplet Excitons of Thermally Activated Delayed Fluorescence Molecules Journal of Physical Chemistry C 121/ 20687-20695 (2017) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi and Osamu Sugino [22]. 52/ 133-140 (2017) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] 野口良史、杉野修 [23]. Molecular Size Insensitivity of Optical Gap of [n]Cycloparaphenylenes (n = 3-16) The Journal of Chemical Physics 146/ 144304/1-144304/7 (2017) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi and Osamu Sugino [24]. Effect of dynamical fluctuation of hydration structures on absorption spectra of oxylucifein in aqueous solutions PhysChemChemPhys 19/ 10028-10035 (2017) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Miyabi Hiyama, Motoyuki Shiga, Nobuaki Koga, Osamu Sugino, Hidefumi Akiyama, and Yoshifumi Noguchi [25]. Quantitative characterization of exciton from GW+Bethe-Salpeter calculation The Journal of Chemical Physics 146/ 044303/1-044303/10 (2017) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Daichi Hirose, Yoshifumi Noguchi, and Osamu Sugino [26]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Riichi Kuwahara, Yoshifumi Noguchi, and Kaoru Ohno [27]. Reverse Stability of Oxyluciferin Isomers in Aqueous Solutions Journal of Physical Chemistry B 120/ 8776-8783 (2016) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Osamu Sugino, and Hidefumi Akiyama [28]. TOMBO: all-electron mixed basis approach to condensed matter physics Computational Physics Communications 189/ 20-30 (2015) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Shota Ono, Yoshifumi Noguchi, Ryoji Sahara, Yoshiyuki Kawazoe, and Kaoru Ohno [29]. All-Electron First-Principles GW+Bethe-Salpeter Program: Development & Applications ISSP Supercomputer center Activity Report 2014　巻頭論文 / 15-22 (2015) [Refereed] non-refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi [30]. Vibronic Structure in Absorption and Fluorescence Spectra of Firefly Oxyluciefin in Aqueous Solutions Photochemistry and Photobiology 91/ 819-827 (2015) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Miyabi Hiyama, Yoshifumi Noguchi, Hidefumi Akiyama, and Kenta Yamada [31]. All-electron GW+Bethe-Salpeter calculations for small molecules Physical Review B 91/ 205111/1-205111/8 (2015) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Daichi Hirose, Yoshifumi Noguchi, and Osamu Sugino [32]. First-Principles Investigation of Strong Excitonic Effects in Oxygen 1s X-Ray Absorption Spectra Journal of Chemical Theory and Computation 11/ 1668-1673 (2015) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, Yoshihisa Harada, and Nobuaki Koga [33]. Symmetry breaking and excitonic effects on optical properties of defective nanographenes The Journal of Chemical Physics 142/ 064313/1-064313/7 (2015) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi and Osamu Sugino [34]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, and Nobuaki Koga [35]. First-Principles Investigation on Optical Properties of Firefly Luciferin Anion LUMINESCENCE 29/ 86-87 (2014) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, and Nobuaki Koga [36]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Osamu Sugino, Hiroshi Okada, and Yutaka Matsuo [37]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Osamu Sugino, Momoko Nagaoka, Soh Ishii, and Kaoru Ohno [38]. 98/ 61-67 (2011) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] 野口良史 [39]. All-electron first-principles GW+Bethe-Salpeter calculation for optical absorption spectra of sodium clusters Physical Review A 81/ 045201/1-045201/4 (2010) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi and Kaoru Ohno [40]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki [41]. First-Principles Calculation of Photoabsorption Spectra of Cadmium Selenide Clusters Materials Transactions 49/ 2420-2423 (2008) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Momoko Nagaoka, Soh Ishii, Yoshifumi Noguchi, and Kaoru Ohno [42]. Quasiparticle energy spectra of alkali-metal clusters: All-electron first-principles calculation The Journal of Chemical Physics 129/ 104104/1-104104/7 (2008) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, and Taizo Sasaki [43]. First principles T-matrix calculations for Auger spectra of hydrocarbon systems Physical Review B 77/ 035132/1-035132/5 (2008) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki [44]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno [45]. Electronic and electron-transport properties of peanut-shaped C60 polymers Journal of Physcs: Conference Series 61/ 899-903 (2007) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Jun Onoe, T. Ochiai, Takahiro Ito, Shin-ichi Kimura, Sho Ueda, Yoshifumi Noguchi, and Kaoru Ohno [46]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Jun Onoe, Takahiro Ito, Shin-ichi Kimura, Kaoru Ohno, Yoshifumi Noguchi, and Sho Ueda [47]. Short-range electron correlations of CO2 molecule by first principles T-matrix calculations Materials Transactions 48/ 638-640 (2007) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno [48]. Optimized 3D structures and energy bands of peanut-shaped C60 polymers The European Physical Journal D 43/ 137-140 (2007) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Kaoru Ohno, Yoshifumi Noguchi, Sho Ueda, and Jun Onoe [49]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno [50]. Dimensional dependence of electronic structure of fullerene polymers The Journal of Physical Chemistry B 110/ 22374-22381 (2006) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Sho Ueda, Kaoru Ohno, Yoshifumi Noguchi, Soh, Ishii, and Jun Onoe [51]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Kaoru Ohno, Yoshifumi Noguchi, Toshihiro Yokoi, Soh Ishii, Jun Takeda, and Miou Furuya [52]. First-principles Green's Function Study on Electronic Excited States of Molecules Journal of Physics: Conference Series 29/ 39-44 (2006) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Kaoru Ohno, Soh Ishii, and Yoshifumi Noguchi [53]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Yohei Kudo, Soh Ishii, and Kaoru Ohno [54]. Instability of Dianions of Alkali-Metal Clusters Materials Transactions 46/ 1103-1105 (2005) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno [55]. Calculation of Energy Bands for Peanuts-Shaped Fused Fullerene Polymers Journal of Metastable & Nanocrystalline Materials 24/ 249-252 (2005) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Sho Ueda, Yoshifumi Noguchi, Soh Ishii, Jun Onoe, and Kaoru Ohno [56]. First-Principle Calculations of Hydrogen-Terminated Si(100)2×1 Surface with Missing Dimmers Journal of Metastable & Nanocrystalline Materials 24/ 245-248 (2005) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Satoru Masatsuji, Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno [57]. First-principles calculations of optical absorption spectra of atoms in the vacuum and crystals Computational Materials Science 36/ 125-129 (2005) [Refereed] non-refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] co-author [Author] Kaoru Ohno, Miou Furuya, Soh Ishii, Yoshifumi Noguchi, Shohei Iwata, Yoshiyuki Kawazoe, Shinichiro Nagasaka, Takehisa Yoshinari, and Yoshio Takahashi [58]. Double Ionization Energy Spectra of Small Alkali-metal Clusters Science and Technology of Advanced Materials 5/ 663-665 (2004) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Soh Ishii, Yoshiyuki Kawazoe, and Kaoru Ohno [59]. Dielectric Function of (CdSe)13 Clusters Transaction of the Materials Research Society of Japan 29/ 3723-3725 (2003) [Refereed] refereed [Internationally co-authored papers] internationally co-authored paper [Lead author or co-author] author [Author] Yoshifumi Noguchi, Kaoru Ohno, Vijay Kumar, Yoshiyuki Kawazoe, Yurii Barnakov, and Atsuo Kasuya

[1]. First-principles self-interaction free GWΓ simulations for first ionization potentials and electron affinities
The Journal of Chemical Physics 164/ 144110/1-144110/12 144110 (2026) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Tamao Isago, Yoshifumi Noguchi, and Kaoru Ohno [DOI]
[2].
23/ R002-1-R002-8 (2026) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] 野口良史 [DOI]
[3]. Expanding the Toolbox for Hydrogen Atom Transfer Catalysis: Sulfides as Structurally Diverse Catalysts Under Photoredox Conditions
Advanced Synthesis & Catalysis 368/ 1-8 e70293 (2026) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Tetsuya Sengoku, Shun Nishioka, Yu Kokoda, Yoshifumi Noguchi, and Toshiyasu Inuzuka [DOI]
[4]. Second harmonic generation of nonpoled polyurea thin film prepared via vapor deposition polymerization method
Japanese Journal of Applied Physics 64/ 072003/1-072003/6 (2025) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Atsushi Sugita, Shusaku Nandate, Tatsumi Kitamura, Yoshifumi Noguchi, Ryosuke Matsubara, Masayoshi Kamiya, and Atsushi Kubono [DOI]
[5]. Absorption and fluorescence properties and assignments of firefly bioluminescence substrate analog: seMpai
Photochemistry and Photobiology 102/ 237-247 (2025) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Masahiro Harada, Yoshifumi Noguchi, Takashi Hirano, Ken- ichiro Kanno, Tomoya Nakano, Ryohei Ono, Tamotsu Uchiyama, Ryohei Saito- Moriya, Nobuo Kitada, Shojiro A. Maki, Hiroshi Aoyama, Masataka Kobayashi, Hidefumi Akiyama, Hideyuki Itabashi, Miyabi Hiyama [DOI]
[6]. Significance of self-interaction corrections in the GWΓ method
Physical Review B 111/ 195146/1-195146/8 (2025) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Tamao Isago, Yoshifumi Noguchi, and Kaoru Ohno [DOI]
[7]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Kenta Yoneyama, Yoshifumi Noguchi, and Kaoru Ohno [DOI]
[8]. Experimental and Theoretical Study for Core Excitation of Firefly Luciferin in Carbon K‐Edge Spectra
The Journal Physical Chemistry A 128/ 611-617 (2024) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Yuto Kudo, Fumitoshi Kumaki, Masanari Nagasaka, Jun-ichi Adachi, Yoshifumi Noguchi, Nobuaki Koga, Hideyuki Itabashi, and Miyabi Hiyama [DOI]
[9]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Satoka Yamada and Yoshifumi Noguchi [DOI]
[10]. Quantum yield of near-infrared bioluminescence with firefly luciferin analog: AkaLumine
Journal of Photochemistry & Photobiology, A: Chemistry 434/ 114270/1-114270/6 (2022) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] 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]
[11]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Satoka Yamada, Yoshifumi Noguchi, Kohei Ishii, Daichi Hirose, Osamu Sugino, and Kaoru Ohno [DOI]
[12]. Fragment-Based Excited-State Calculations Using the GW Approximation and the Bethe−Salpeter Equation
The Journal Physical Chemistry A 125/ 10580-10592 (2021) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Takatoshi Fujita and Yoshifumi Noguchi [DOI]
[13]. Exciton maps for thermally activated delayed fluorescence active/inactive carbazole benzonitrile derivatives
The Journal of Chemical Physics 155/ 204302/1-204302/8 (2021) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi [DOI]
[14]. Absorption Spectra for Firefly Bioluminescence Substrate Analog:TokeOni in Various pH Solutions
Photochemistry and Photobiology 97/5 1016-1022 (2021) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Haruhisa Ogawa, Ryohei Ono, Yoshifumi Noguchi, Nobuo Kitada, Ryohei Saito-Moriya, Shojiro A. Maki, Hidefumi Akiyama, Hideyuki Itabashi, and Miyabi Hiyama [DOI]
[15]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Hidefumi Akiyama, and Osamu Sugino [DOI]
[16]. Revisiting the Charge-Transfer States at Pentacene/C60 Interfaces with the GW/Bethe–Salpeter Equation Approach
materials 13/ 2728/1-2728/15 (2020) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Takatoshi Fujita, Yoshifumi Noguchi, and Takeo Hoshi
[17]. Photoabsorption Spectra of Aqueous Oxyluciferin Anions Elucidated by Explicit Quantum Solvent
Journal of Chemical Theory and Computation 15/ 5474-5482 (2019) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Hidefumi Akiyama, and Osamu Sugino [DOI]
[18]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Takatoshi Fujita, Yoshifumi Noguchi, and Takeo Hoshi [DOI]
[19]. Development of the fragment-based COHSEX method for large and complex molecular systems
Physical Review B 98/ 205140/1-205140/10 (2018) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Takatoshi Fujita and Yoshifumi Noguchi [DOI]
[20]. Optical properties of six isomers of three dimensionally delocalized π-conjugated carbon nanocage
The European Physical Journal B 91/ 125/1-125/7 (2018) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Daichi Hirose, and Osamu Sugino [DOI]
[21]. High-Lying Triplet Excitons of Thermally Activated Delayed Fluorescence Molecules
Journal of Physical Chemistry C 121/ 20687-20695 (2017) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi and Osamu Sugino
[22].
52/ 133-140 (2017) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] 野口良史、杉野修
[23]. Molecular Size Insensitivity of Optical Gap of [n]Cycloparaphenylenes (n = 3-16)
The Journal of Chemical Physics 146/ 144304/1-144304/7 (2017) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi and Osamu Sugino
[24]. Effect of dynamical fluctuation of hydration structures on absorption spectra of oxylucifein in aqueous solutions
PhysChemChemPhys 19/ 10028-10035 (2017) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Miyabi Hiyama, Motoyuki Shiga, Nobuaki Koga, Osamu Sugino, Hidefumi Akiyama, and Yoshifumi Noguchi
[25]. Quantitative characterization of exciton from GW+Bethe-Salpeter calculation
The Journal of Chemical Physics 146/ 044303/1-044303/10 (2017) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Daichi Hirose, Yoshifumi Noguchi, and Osamu Sugino
[26]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Riichi Kuwahara, Yoshifumi Noguchi, and Kaoru Ohno
[27]. Reverse Stability of Oxyluciferin Isomers in Aqueous Solutions
Journal of Physical Chemistry B 120/ 8776-8783 (2016) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Miyabi Hiyama, Motoyuki Shiga, Osamu Sugino, and Hidefumi Akiyama
[28]. TOMBO: all-electron mixed basis approach to condensed matter physics
Computational Physics Communications 189/ 20-30 (2015) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Shota Ono, Yoshifumi Noguchi, Ryoji Sahara, Yoshiyuki Kawazoe, and Kaoru Ohno
[29]. All-Electron First-Principles GW+Bethe-Salpeter Program: Development & Applications
ISSP Supercomputer center Activity Report 2014　巻頭論文 / 15-22 (2015) [Refereed] non-refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi
[30]. Vibronic Structure in Absorption and Fluorescence Spectra of Firefly Oxyluciefin in Aqueous Solutions
Photochemistry and Photobiology 91/ 819-827 (2015) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Miyabi Hiyama, Yoshifumi Noguchi, Hidefumi Akiyama, and Kenta Yamada
[31]. All-electron GW+Bethe-Salpeter calculations for small molecules
Physical Review B 91/ 205111/1-205111/8 (2015) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Daichi Hirose, Yoshifumi Noguchi, and Osamu Sugino
[32]. First-Principles Investigation of Strong Excitonic Effects in Oxygen 1s X-Ray Absorption Spectra
Journal of Chemical Theory and Computation 11/ 1668-1673 (2015) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, Yoshihisa Harada, and Nobuaki Koga
[33]. Symmetry breaking and excitonic effects on optical properties of defective nanographenes
The Journal of Chemical Physics 142/ 064313/1-064313/7 (2015) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi and Osamu Sugino
[34]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, and Nobuaki Koga
[35]. First-Principles Investigation on Optical Properties of Firefly Luciferin Anion
LUMINESCENCE 29/ 86-87 (2014) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Miyabi Hiyama, Hidefumi Akiyama, and Nobuaki Koga
[36]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Osamu Sugino, Hiroshi Okada, and Yutaka Matsuo
[37]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Osamu Sugino, Momoko Nagaoka, Soh Ishii, and Kaoru Ohno
[38].
98/ 61-67 (2011) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] 野口良史
[39]. All-electron first-principles GW+Bethe-Salpeter calculation for optical absorption spectra of sodium clusters
Physical Review A 81/ 045201/1-045201/4 (2010) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi and Kaoru Ohno
[40]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki
[41]. First-Principles Calculation of Photoabsorption Spectra of Cadmium Selenide Clusters
Materials Transactions 49/ 2420-2423 (2008) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Momoko Nagaoka, Soh Ishii, Yoshifumi Noguchi, and Kaoru Ohno
[42]. Quasiparticle energy spectra of alkali-metal clusters: All-electron first-principles calculation
The Journal of Chemical Physics 129/ 104104/1-104104/7 (2008) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, and Taizo Sasaki
[43]. First principles T-matrix calculations for Auger spectra of hydrocarbon systems
Physical Review B 77/ 035132/1-035132/5 (2008) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Soh Ishii, Kaoru Ohno, Igor Solovyev, and Taizo Sasaki
[44]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno
[45]. Electronic and electron-transport properties of peanut-shaped C60 polymers
Journal of Physcs: Conference Series 61/ 899-903 (2007) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Jun Onoe, T. Ochiai, Takahiro Ito, Shin-ichi Kimura, Sho Ueda, Yoshifumi Noguchi, and Kaoru Ohno
[46]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Jun Onoe, Takahiro Ito, Shin-ichi Kimura, Kaoru Ohno, Yoshifumi Noguchi, and Sho Ueda
[47]. Short-range electron correlations of CO2 molecule by first principles T-matrix calculations
Materials Transactions 48/ 638-640 (2007) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno
[48]. Optimized 3D structures and energy bands of peanut-shaped C60 polymers
The European Physical Journal D 43/ 137-140 (2007) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Kaoru Ohno, Yoshifumi Noguchi, Sho Ueda, and Jun Onoe
[49]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno
[50]. Dimensional dependence of electronic structure of fullerene polymers
The Journal of Physical Chemistry B 110/ 22374-22381 (2006) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Sho Ueda, Kaoru Ohno, Yoshifumi Noguchi, Soh, Ishii, and Jun Onoe
[51]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Kaoru Ohno, Yoshifumi Noguchi, Toshihiro Yokoi, Soh Ishii, Jun Takeda, and Miou Furuya
[52]. First-principles Green's Function Study on Electronic Excited States of Molecules
Journal of Physics: Conference Series 29/ 39-44 (2006) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Kaoru Ohno, Soh Ishii, and Yoshifumi Noguchi
[53]. 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) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Yohei Kudo, Soh Ishii, and Kaoru Ohno
[54]. Instability of Dianions of Alkali-Metal Clusters
Materials Transactions 46/ 1103-1105 (2005) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno
[55]. Calculation of Energy Bands for Peanuts-Shaped Fused Fullerene Polymers
Journal of Metastable & Nanocrystalline Materials 24/ 249-252 (2005) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Sho Ueda, Yoshifumi Noguchi, Soh Ishii, Jun Onoe, and Kaoru Ohno
[56]. First-Principle Calculations of Hydrogen-Terminated Si(100)2×1 Surface with Missing Dimmers
Journal of Metastable & Nanocrystalline Materials 24/ 245-248 (2005) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Satoru Masatsuji, Yoshifumi Noguchi, Soh Ishii, and Kaoru Ohno
[57]. First-principles calculations of optical absorption spectra of atoms in the vacuum and crystals
Computational Materials Science 36/ 125-129 (2005) [Refereed] non-refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] co-author
[Author] Kaoru Ohno, Miou Furuya, Soh Ishii, Yoshifumi Noguchi, Shohei Iwata, Yoshiyuki Kawazoe, Shinichiro Nagasaka, Takehisa Yoshinari, and Yoshio Takahashi
[58]. Double Ionization Energy Spectra of Small Alkali-metal Clusters
Science and Technology of Advanced Materials 5/ 663-665 (2004) [Refereed] refereed [Internationally co-authored papers] non-internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Soh Ishii, Yoshiyuki Kawazoe, and Kaoru Ohno
[59]. Dielectric Function of (CdSe)13 Clusters
Transaction of the Materials Research Society of Japan 29/ 3723-3725 (2003) [Refereed] refereed [Internationally co-authored papers] internationally co-authored paper
[Lead author or co-author] author
[Author] Yoshifumi Noguchi, Kaoru Ohno, Vijay Kumar, Yoshiyuki Kawazoe, Yurii Barnakov, and Atsuo Kasuya