Kurokawa Yusaku 黒川悠索

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KUROKAWA Yusaku 黒川悠索

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Researcher Number	30590731
Other IDs
Affiliation (Current)	2025: 認定NPO法人量子化学研究協会, 研究所, 研究員
Affiliation (based on the past Project Information) *help	2025: 認定NPO法人量子化学研究協会, 研究所, 研究員 2018 – 2023: 認定NPO法人量子化学研究協会, 研究所, 研究員 2015 – 2017: 特定非営利活動法人量子化学研究協会, 研究所, 研究員 2014: 特定非営利活動法人量子化学研究協会, その他部局等, 研究員 2013: 特定非営利活動法人量子化学研究協会, 研究所, 研究員 2012: 特定非営利活動法人量子化学研究協会, その他部局等, 研究員
Review Section/Research Field	Principal Investigator Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related / Transition State Control Except Principal Investigator Basic Section 63020:Radiation influence-related
Keywords	Principal Investigator シュレーディンガー方程式 / Free Complement法 / ポテンシャルカーブ / 一般化近接条件 / Gauss関数 / Slater関数 / カスプ / スピン状態 / 多配置理論 / 原子価結合法 … More / 遷移金属錯体 / 変分法 / 励起状態 / Chemical Formula Theory / 量子化学 / 積分法 / シュレーディンガー解 / Harmonium / サンプリング法 / 自由完員関数法 / 水素分子 / カスプ条件 / 正確な解法 / Free Complement / 発散点 / ディラック方程式 … More Except Principal Investigator 発光分光 / 放射線照射効果 / 軟Ｘ線分光 / シンクロトロンX線 / ハロゲン化DNA塩基 / 放射線増感効果 / DNA電子状態 / ハートリー・ホック法 / SAC-CI理論 / 量子化学計算 / 光電子分光測定 / 放射線増感 / 放射線DNA損傷 / 光電子分光 / 価電子帯 / ハロゲン化ウラシル / 電子状態 / 放射線 / 金属化 / バンドギャップ / X線吸収微細構造 / X線光電子分光 / シンクロトロン放射 / ハロゲン化DNA / DNA電子物性 / DNA損傷 Less

ガウス関数とスレーター関数を用いた自由完員関数法によるExact波動関数の構築Principal Investigator
- Principal Investigator
  
  黒川悠索
- Project Period (FY)
  2025 – 2027
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Quantum Chemistry Research Institute
Quantum mechanism and regulation of radiation damage to DNA
- Principal Investigator
  
  YOKOYA Akinari
- Project Period (FY)
  2020 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 63020:Radiation influence-related
- Research Institution
  National Institutes for Quantum Science and Technology
Study on the transition state of the potential energy curve and the spin state of a metal complex by the VB theoryPrincipal Investigator
- Principal Investigator
  
  Kurokawa Yusaku
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Transition State Control
- Research Institution
  Quantum Chemistry Research Institute
Solving the Schroedinger Equation: Accurate solutions by the integration method and the sampling method.Principal Investigator
- Principal Investigator
  
  Kurokawa Yusaku
- Project Period (FY)
  2016 – 2017
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Quantum Chemistry Research Institute
Theoretical study on the solutions of the Schrodinger equation of atoms and molecules in the coalescence and asymptotic regions.Principal Investigator
- Principal Investigator
  
  Kurokawa Yusaku
- Project Period (FY)
  2014 – 2015
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Quantum Chemistry Research Institute
Annihilation of the positron spaces from the relativistic quantum chemistry: its physics and applicationPrincipal Investigator
- Principal Investigator
  
  KUROKAWA Yusaku
- Project Period (FY)
  2012 – 2013
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Physical chemistry
- Research Institution
  Quantum Chemistry Research Institute

All 2022 2020 2019 2018 2017 2016 2015 2014 2013 2012 Other

All Journal Article Presentation

[Journal Article] X-ray photoelectron spectroscopy of Thymine and 5-Bromouracil studied by Symmetry-Adapted-Cluster Configuration-Interaction (SAC-CI) theory2022
- Author(s)
  Yusaku I. Kurokawa, Hiroshi Nakatsuji, Misaki Hirato, Akinari Yokoya
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 805 Pages: 139957-139957
- DOI
  10.1016/j.cplett.2022.139957
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H04338, KAKENHI-PROJECT-23K23313
[Journal Article] Solving the Schroedinger equation of atoms and molecules using one- and two-electron integrals only2020
- Author(s)
  Hiroshi Nakatsuji, Hiroyuki Nakashima, Yusaku I. Kurokawa
- Journal Title
  
  Physical Review A
  
  Volume: 101 Issue: 6
- DOI
  10.1103/physreva.101.062508
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K20295, KAKENHI-PROJECT-17H04867, KAKENHI-PROJECT-17KT0103
[Journal Article] Solving the Schroedinger equation of the hydrogen molecule with the free-complement variational theory: essentially exact potential curves and vibrational levels of the ground and excited states of Π symmetry2020
- Author(s)
  Yusaku I. Kurokawa, Hiroyuki Nakashima, Hiroshi Nakatsuji
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 22 Issue: 24 Pages: 13489-13497
- DOI
  10.1039/d0cp01492c
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K20295, KAKENHI-PROJECT-17KT0103, KAKENHI-PROJECT-20K21182, KAKENHI-PROJECT-17H04867
[Journal Article] Solving the Schroedinger Equation of Hydrogen Molecule with the Free-Complement Variational Theory: Essentially Exact Potential Curves and Vibrational Levels of the Ground and Excited States of Σ symmetry2019
- Author(s)
  Yusaku I. Kurokawa, Hiroyuki Nakashima, and Hiroshi Nakatsuji
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 21 Issue: 12 Pages: 6327-6340
- DOI
  10.1039/c8cp05949g
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0103, KAKENHI-PROJECT-16H02257, KAKENHI-PROJECT-20K20295
[Journal Article] Solving the Schroedinger equation of atoms and molecules: Chemical-formula theory, free-complement chemical-formula theory, and intermediate variational theory2018
- Author(s)
  Hiroshi Nakatsuji, Hiroyuki Nakashima, and Yusaku I. Kurokawa
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 149 Issue: 11
- DOI
  10.1063/1.5040376
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0103, KAKENHI-PROJECT-16H02257, KAKENHI-PROJECT-17H04867, KAKENHI-PROJECT-20K20295
[Journal Article] Solving the Schroedinger equation of atoms and molecules with the free-complement chemical-formula theory: First-row atoms and small molecules2018
- Author(s)
  Hiroshi Nakatsuji, Hiroyuki Nakashima, and Yusaku I. Kurokawa
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 149 Issue: 11
- DOI
  10.1063/1.5040377
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17KT0103, KAKENHI-PROJECT-16H02257, KAKENHI-PROJECT-17H04867, KAKENHI-PROJECT-20K20295
[Journal Article] 「京」による有機・無機化合物のシュレーディンガー解の計算2017
- Author(s)
  中辻博、中嶋浩之、黒川悠索、宮原友夫
- Journal Title
  
  HPCI Research Report
  
  Volume: 2 Pages: 39-45
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K17864
[Journal Article] General coalescence conditions for the exact wave functions: Higher-order relations for Coulombic and non-Coulombic systems2016
- Author(s)
  Yusaku I. Kurokawa, Hiroyuki Nakashima, and Hiroshi Nakatsuji
- Journal Title
  
  Advances in Quantum Chemistry
  
  Volume: 73 Pages: 59-79
- DOI
  10.1016/bs.aiq.2015.09.001
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-26810014
[Journal Article] Solving the Schroedinger Equation of Harmonium Systems with the Free-Complement Local- Schroedinger-Equation method2016
- Author(s)
  Yusaku I. Kurokawa and Hiroshi Nakatsuji
- Journal Title
  
  Proceedings of the 16th International Conference on Computational and Mathematical Methods in Science and Engineering
  
  Volume: vol. V Pages: 1427-1432
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-16K17864
[Journal Article] General coalescence conditions for the exact wave functions. II. Higher-order relations for many-particle systems2014
- Author(s)
  Yusaku I. Kurokawa, Hiroyuki Nakashima, and Hiroshi Nakatsuji
- Journal Title
  
  THE JOURNAL OF CHEMICAL PHYSICS
  
  Volume: 140 Issue: 21
- DOI
  10.1063/1.4879266
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24655023, KAKENHI-PROJECT-26810014
[Journal Article] General coalescence conditions for the exact wave functions: Higher-order relations for two-particle systems2013
- Author(s)
  Yusaku I. Kurokawa, Hiroyuki Nakashima, and Hiroshi Nakatsuji
- Journal Title
  
  THE JOURNAL OF CHEMICAL PHYSICS
  
  Volume: 139 Issue: 4
- DOI
  10.1063/1.4816281
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24655023
[Presentation] 細胞の放射線増感を誘発する臭素化DNA関連分子の電子状態の研究2020
- Author(s)
  平戸未彩紀、馬場祐治、藤井健太郎、和田真一、黒川悠索、中辻博、横谷明徳
- Organizer
  量子生命科学会第2回大会
- Data Source
  KAKENHI-PROJECT-20H04338
[Presentation] FC 理論による exact に至る計算のための Slater 型関数の積分法とプログラムの開発2019
- Author(s)
  中嶋浩之, 黒川悠索, 中辻博
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] シュレーディンガー方程式の正確な解法に基づく、新しい量子化学の建設2019
- Author(s)
  中辻博，中嶋浩之，黒川悠索
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] Chemical Formula Theory と Free Complement 法による原子・分子の基底・励起状態の変分法による計算2019
- Author(s)
  黒川悠索, 中嶋浩之, 中辻博
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] Gauss型基底を用いたFC-CFT(Free Complement-Chemistry Formula Theory)法による原子・分子の計算2019
- Author(s)
  黒川悠索，中嶋浩之，中辻博
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] Slater型関数の積分プログラム開発とFC理論による原子の高精度計算2019
- Author(s)
  中嶋浩之，黒川悠索，中辻博
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] シュレーディンガー方程式の正確な解法に基づく新しい量子化学の建設2019
- Author(s)
  中辻博，中嶋浩之，黒川悠索
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] Solving the Schrodinger Equations: Development of the Free Complement Variational Theory and Applications to Diatomic Molecules2018
- Author(s)
  Yusaku I. Kurokawa, Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  WS on Quantum Chemistry/Quantum Chemical Calculations on Quantum Computers
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] Free-Complement Chemical-Formula (FC-CF) Theory2018
- Author(s)
  中辻博，中嶋浩之，黒川悠索
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] Free Complement - Chemical Formula Theoryによる金属間結合の研究2018
- Author(s)
  中嶋浩之，黒川悠索，中辻博
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] FC-CF 理論に基づく簡単な分子の変分解と exact 解の計算2018
- Author(s)
  中嶋浩之, 黒川悠索, 中辻博
- Organizer
  第21回理論化学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] The Free Complement - Variational method: Application to Potential Energy Curves of Diatomic Molecules.2018
- Author(s)
  KUROKAWA Yusaku
- Organizer
  7th Japan-Czech-Slovak SYMPOSIUM
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] Solving the Schrodinger Equations: Development of the Free Complement Variational Theory and Applications to Diatomic Molecules2018
- Author(s)
  Yusaku I. Kurokawa, Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  WS on Quantum Chemistry/Quantum Chemical Calculations on Quantum Computers
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17864
[Presentation] Free Complement 法による二原子分子の基底・励起状態のポテンシャルカーブの計算2018
- Author(s)
  黒川悠索, 中嶋浩之, 中辻博
- Organizer
  第21回理論化学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] Free Complement法によるCH分子のポテンシャルカーブの計算2018
- Author(s)
  黒川悠索，中嶋浩之，中辻博
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] 原子・分子のシュレーディンガー解に基づく量子化学の建設：FC理論とその応用 II. 　積分法2017
- Author(s)
  黒川悠索，中嶋浩之, 中辻博
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] FC-LSE 法による原子・分子のシュレーディンガー解の計算 I.2017
- Author(s)
  中嶋浩之、黒川悠索、中辻博
- Organizer
  第20回理論化学討論会
- Data Source
  KAKENHI-PROJECT-16K17864
[Presentation] Solving the Schroedinger Equation of Harmonium Atoms with the Free-Complement Local-Schroedinger-Equation method2017
- Author(s)
  Yusaku I. Kurokawa and Hiroshi Nakatsuji
- Organizer
  第5回AWEST2017
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17864
[Presentation] FC-LSE法による原子・分子のシュレーディンガー解の計算 II.2017
- Author(s)
  黒川悠索，中嶋浩之，中辻博
- Organizer
  第20回理論化学討論会
- Data Source
  KAKENHI-PROJECT-16K17864
[Presentation] 原子・分子のシュレーデインガー解に基づく量子化学の建設：自由完員関数理論とその応用2017
- Author(s)
  中辻博，中嶋浩之，黒川悠索
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K17864
[Presentation] 原子・分子のシュレーデインガー解に基づく量子化学の建設：自由完員関数理論とその応用2017
- Author(s)
  中辻博，中嶋浩之，黒川悠索
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17KT0103
[Presentation] 原子・分子のシュレーディンガー解に基づく量子化学の建設：FC 理論とその応用 II2017
- Author(s)
  黒川悠索，中嶋浩之，中辻博
- Organizer
  第11回分子科学討論会
- Data Source
  KAKENHI-PROJECT-16K17864
[Presentation] Free Complement 法による多電子Harmonium system の研究2016
- Author(s)
  黒川悠索, 中辻博
- Organizer
  第19回理論化学討論会
- Place of Presentation
  早稲田大学
- Year and Date
  2016-05-23
- Data Source
  KAKENHI-PROJECT-16K17864
[Presentation] Solving the Schroedinger Equation of Harmonium Systems with the Free-Complement Local-Schroedinger-Equation method2016
- Author(s)
  Yusaku I. Kurokawa and Hiroshi Nakatsuji
- Organizer
  International Conference on Computational and Mathematical Methods in Science and Engineering
- Place of Presentation
  Costa Ballena, Cadiz, Spain
- Year and Date
  2016-07-04
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17864
[Presentation] 可積分完員関数によるFC-VB-V 法2016
- Author(s)
  黒川悠索，中辻博
- Organizer
  第10回分子科学討論会2016神戸
- Place of Presentation
  神戸ファッションマート
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-16K17864
[Presentation] 有機・無機化合物のシュレーディンガー解の計算：大きな分子の計算に向けて. II2015
- Author(s)
  黒川悠索、中嶋浩之、中辻博
- Organizer
  第18回理論化学討論会
- Place of Presentation
  大阪大学
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-26810014
[Presentation] Solving the Schroedinger Equation of molecules by the FC-LSE method starting from Hartree-Fock MO’s2015
- Author(s)
  Yusaku. I. Kurokawa and H. Nakatsuji
- Organizer
  6th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry
- Place of Presentation
  Smolenice Castle near Bratislava, Slovakia
- Year and Date
  2015-10-11
- Invited
- Data Source
  KAKENHI-PROJECT-26810014
[Presentation] 変分法とサンプリング法の結合による自由完員関数法の展開2015
- Author(s)
  黒川悠索、中嶋浩之、中辻博
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京工業大学
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-26810014
[Presentation] 正確な波動関数の満たすべき条件を求めて -2粒子近接における波動関数の振舞い-2014
- Author(s)
  黒川悠索
- Organizer
  第8回　革新的量子化学シンポジウム
- Place of Presentation
  キャンパスプラザ京都, 京都
- Invited
- Data Source
  KAKENHI-PROJECT-24655023
[Presentation] 正確な波動関数の満たすべき条件を求めて -2粒子近接における波動関数の振舞い-2014
- Author(s)
  黒川悠索
- Organizer
  第8回　革新的量子化学シンポジウム
- Place of Presentation
  キャンパスプラザ京都
- Year and Date
  2014-05-03
- Invited
- Data Source
  KAKENHI-PROJECT-26810014
[Presentation] 光学活性な遷移金属錯体に対するCDスペクトル : SAC-CI法による研究2013
- Author(s)
  石川敦之,黒川悠索,中辻博
- Organizer
  第20回記念シンポジウムモレキュラーキラリティー2013
- Place of Presentation
  京都大学(京都)
- Data Source
  KAKENHI-PROJECT-24655023
[Presentation] General Coalescence Conditions for the Exact Wave Functions:　Higher-Order Relations for Many-Particle Systems2013
- Author(s)
  Yusaku. I. Kurokawa, Hiroyuki Nakashima, Hiroshi Nakatsuji
- Organizer
  5th JCS International Symposium on Theoretical Chemistry
- Place of Presentation
  Todai-ji Culture Center, Nara, Japan
- Data Source
  KAKENHI-PROJECT-24655023
[Presentation] FATM-iExg法によるシュレーディンガー解の計算 : 含窒素有機化合物への応用2013
- Author(s)
  黒川悠索,中嶋浩之,中辻博
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都テルサ(京都)
- Data Source
  KAKENHI-PROJECT-24655023
[Presentation] General Coalescence Conditions for the Exact Wave Functions : Higher-Order Relations for Many-Particle Systems2013
- Author(s)
  Yusaku I. Kurokawa, Hiroyuki Nakashima, Hiroshi Nakatsuji
- Organizer
  5^<th> JCS International Symposium on Theoretical Chemistry(5^<th> JCS)
- Place of Presentation
  Nara (Japan)
- Data Source
  KAKENHI-PROJECT-24655023
[Presentation] シュレーディンガー方程式のFC法(自由完員関数法)による解法II. Gauss型関数の検討2012
- Author(s)
  黒川悠索,石川敦之,中辻博
- Organizer
  第15回理論化学討論会2012
- Place of Presentation
  東北大学(仙台)
- Data Source
  KAKENHI-PROJECT-24655023
[Presentation] Solving the Schrödinger and Dirac equations of atoms and molecules with massively parallel computer2012
- Author(s)
  H. Nakashima, A. Ishikawa, Y. Kurokawa, H. Nakatsuji
- Organizer
  The International Conference for High Performance Computing, Networking, Storage and Analysis (SC12)
- Place of Presentation
  Salt Lake City (USA)
- Data Source
  KAKENHI-PROJECT-24655023
[Presentation] Free Complement (FC)法によって生成される1電子Gauss型完員関数の分子積分2012
- Author(s)
  黒川悠索,石川敦之,中辻博
- Organizer
  第6回分子科学討論会
- Place of Presentation
  東京大学(東京)
- Data Source
  KAKENHI-PROJECT-24655023
[Presentation] 超並列計算機の利用による原子・分子のシュレーディンガー解の計算2012
- Author(s)
  中嶋浩之,石川敦之,黒川悠索,中辻博
- Organizer
  京コンピュータシンポジウム2012
- Place of Presentation
  神戸
- Data Source
  KAKENHI-PROJECT-24655023
[Presentation] Free Complement法による水素分子の基底・励起状態のポテンシャルカーブの計算
- Author(s)
  黒川悠索，中辻博
- Organizer
  第17回理論化学討論会
- Place of Presentation
  名古屋大学
- Year and Date
  2014-05-22 – 2014-05-24
- Data Source
  KAKENHI-PROJECT-26810014
[Presentation] General Coalescence Conditions for the Exact Wave Functions:Higher-Order Relations for Many-Particle Systems
- Author(s)
  Y. I. Kurokawa, H. Nakashima, H. Nakatsuji
- Organizer
  Molecular Electronic Structure Workshop 2014
- Place of Presentation
  Amasya, Turkey
- Year and Date
  2014-09-01 – 2014-09-05
- Invited
- Data Source
  KAKENHI-PROJECT-26810014
[Presentation] Potential Energy Curves of Hydrogen Molecule in the Ground and Excited States with the Free Complement Method
- Author(s)
  Yusaku. I. Kurokawa, Hiroshi Nakatsuji
- Organizer
  Molecular Electronic Structure Workshop 2014
- Place of Presentation
  Amasya, Turkey
- Year and Date
  2014-09-01 – 2014-09-05
- Data Source
  KAKENHI-PROJECT-26810014

1. YOKOYA Akinari (10354987)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
2. 鵜飼正敏 (80192508)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. 中辻博

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results

Kurokawa Yusaku 黒川 悠索

KUROKAWA Yusaku 黒川 悠索

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ガウス関数とスレーター関数を用いた自由完員関数法によるExact波動関数の構築Principal Investigator

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Quantum mechanism and regulation of radiation damage to DNA

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Study on the transition state of the potential energy curve and the spin state of a metal complex by the VB theoryPrincipal Investigator

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Solving the Schroedinger Equation: Accurate solutions by the integration method and the sampling method.Principal Investigator

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Theoretical study on the solutions of the Schrodinger equation of atoms and molecules in the coalescence and asymptotic regions.Principal Investigator

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Annihilation of the positron spaces from the relativistic quantum chemistry: its physics and applicationPrincipal Investigator

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[Journal Article] X-ray photoelectron spectroscopy of Thymine and 5-Bromouracil studied by Symmetry-Adapted-Cluster Configuration-Interaction (SAC-CI) theory2022

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[Journal Article] Solving the Schroedinger equation of atoms and molecules using one- and two-electron integrals only2020

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[Journal Article] Solving the Schroedinger equation of the hydrogen molecule with the free-complement variational theory: essentially exact potential curves and vibrational levels of the ground and excited states of Π symmetry2020

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[Journal Article] Solving the Schroedinger Equation of Hydrogen Molecule with the Free-Complement Variational Theory: Essentially Exact Potential Curves and Vibrational Levels of the Ground and Excited States of Σ symmetry2019

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[Journal Article] Solving the Schroedinger equation of atoms and molecules: Chemical-formula theory, free-complement chemical-formula theory, and intermediate variational theory2018

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[Journal Article] Solving the Schroedinger equation of atoms and molecules with the free-complement chemical-formula theory: First-row atoms and small molecules2018

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[Journal Article] 「京」による有機・無機化合物のシュレーディンガー解の計算2017

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[Journal Article] General coalescence conditions for the exact wave functions: Higher-order relations for Coulombic and non-Coulombic systems2016

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Kurokawa Yusaku 黒川悠索

KUROKAWA Yusaku 黒川悠索

[Presentation] Chemical Formula Theory と Free Complement 法による原子・分子の基底・励起状態の変分法による計算2019