Nakashima Hiroyuki 中嶋浩之

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NAKASHIMA Hiroyuki 中嶋浩之

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Researcher Number	80447911
Other IDs
Affiliation (Current)	2025: 認定NPO法人量子化学研究協会, 研究所, 部門長
Affiliation (based on the past Project Information) *help	2023 – 2024: 認定NPO法人量子化学研究協会, 研究所, 部門長 2018 – 2021: 認定NPO法人量子化学研究協会, 研究所, 部門長 2015 – 2017: 特定非営利活動法人量子化学研究協会, 研究所, 部門長 2013 – 2014: 特定非営利活動法人量子化学研究協会, 量子化学研究協会研究所, 部門長 2012 – 2013: 特定非営利活動法人量子化学研究協会, 研究所, 部門長 2011: 特定非営利活動法人量子化学研究協会, 研究所・第四部門, 部門長 2010 – 2011: 特定非営利活動法人量子化学研究協会, 量子化学研究協会研究所・第四部門, 部門長
Review Section/Research Field	Principal Investigator Physical chemistry / Science and Engineering / Basic Section 32010:Fundamental physical chemistry-related / Medium-sized Section 32:Physical chemistry, functional solid state chemistry, and related fields / Geochemistry/Astrochemistry
Keywords	Principal Investigator シュレーディンガー方程式 / 自由完員関数法 / 星間分子 / Non-BO計算 / ディラック方程式 / 自由完員関数理論 / 水素クラスター / 完員関数選択法 / 局所的サンプリング量子アルゴリズム / 原子論的化学概念 … More / Slater型3,4電子積分 / 分子波動関数 / 理論原子スペクトル / ポテンシャル曲面 / 解析的ポテンシャルカーブ / Non-BOシュレーディンガー方程式 / 核の運動の量子効果 / 解析的ポテンシャル面 / 量子化学 / 理論スペクトル / 電子励起状態 / ポテンシャルカーブ / 複素座標変換法 / 逆ハミルトニアン法 / 励起状態 / 水素関連化合物 / イオン種の励起状態 / マグネター / 中性子星 / 強磁場科学 / 理論化学 Less

量子計算機で解くシュレーディンガー厳密解法の開発Principal Investigator
- Principal Investigator
  
  中嶋浩之
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Quantum Chemistry Research Institute
Constructing theoretical atomic spectra and molecular wave functions on the Schroedinger-level accuracyPrincipal Investigator
- Principal Investigator
  
  Nakashima Hiroyuki
- Project Period (FY)
  2020 – 2021
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 32:Physical chemistry, functional solid state chemistry, and related fields
- Research Institution
  Quantum Chemistry Research Institute
Solving the Non-BO Schroedinger equations and analytical potential energy surfacePrincipal Investigator
- Principal Investigator
  
  Nakashima Hiroyuki
- Project Period (FY)
  2017 – 2020
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Physical chemistry
- Research Institution
  Quantum Chemistry Research Institute
実験困難な不安定星間分子種のシュレーディンガー・レベルの精密量子化学計算Principal Investigator
- Principal Investigator
  
  中嶋浩之
- Project Period (FY)
  2016 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Quantum Chemistry Research Institute
Developments of the methods for accurately solving the Dirac equations of atoms and molecules including heavy elementsPrincipal Investigator
- Principal Investigator
  
  Nakashima Hiroyuki
- Project Period (FY)
  2015 – 2016
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Physical chemistry
- Research Institution
  Quantum Chemistry Research Institute
星間化合物の量子スペクトルのシュレーディンガー・レベルの計算Principal Investigator
- Principal Investigator
  
  中嶋浩之
- Project Period (FY)
  2014 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Quantum Chemistry Research Institute
Accurate Quantum Chemistry for Space and Ultimate SciencePrincipal Investigator
- Principal Investigator
  
  NAKASHIMA Hiroyuki
- Project Period (FY)
  2012 – 2013
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Geochemistry/Astrochemistry
- Research Institution
  Quantum Chemistry Research Institute
Quantum Chemistry for Atoms and Molecules in Strong Magnetic FieldsPrincipal Investigator
- Principal Investigator
  
  NAKASHIMA Hiroyuki
- Project Period (FY)
  2010 – 2011
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Quantum Chemistry Research Institute

[Journal Article] Accurate Scaling Functions of the Scaled Schroedinger Equation. II. Variational Examination of the Correct Scaling Functions with the Free Complement Theory Applied to the Helium Atom2024
- Author(s)
  Hiroshi Nakatsuji and Hiroyuki Nakashima
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 20 Issue: 9 Pages: 3749-3765
- DOI
  10.1021/acs.jctc.4c00263
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23313, KAKENHI-PROJECT-23K26623
[Journal Article] Potential Energy Curves of the Low-Lying Five 1Σ+ and 1Π States of a CH+ Molecule Based on the Free Complement - Local Schroedinger Equation Theory and the Chemical Formula Theory2023
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 19 Issue: 19 Pages: 6733-6744
- DOI
  10.1021/acs.jctc.3c00645
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23313, KAKENHI-PROJECT-23K26623
[Journal Article] Solving the Schrodinger equation of a planar model H4 molecule2023
- Author(s)
  Hiroyuki Nakashima, Hiroshi Nakatsuji
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 815 Pages: 140359-140359
- DOI
  10.1016/j.cplett.2023.140359
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23313, KAKENHI-PROJECT-23K26623
[Journal Article] Accurate scaling functions of the scaled Schroedinger equation2022
- Author(s)
  Hiroshi Nakatsuji, Hiroyuki Nakashima, and Yusaku I. Kurokawa
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 156 Issue: 1 Pages: 014113-014113
- DOI
  10.1063/5.0077495
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K20295, KAKENHI-PROJECT-20K21182, KAKENHI-PROJECT-23K23313
[Journal Article] Inverse Hamiltonian method assisted by the complex scaling technique for solving the Dirac-Coulomb equation: Helium isoelectronic atoms2020
- Author(s)
  Hiroyuki Nakashima, Hiroshi Nakatsuji
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 749 Pages: 137447-137447
- DOI
  10.1016/j.cplett.2020.137447
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K20295, KAKENHI-PROJECT-17H04867
[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 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] Free complement sij-assisted rij theory: Variational calculation of the quintet state of a carbon atom2020
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Journal Title
  
  Physical Review A
  
  Volume: 102 Issue: 5
- DOI
  10.1103/physreva.102.052835
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K20295, KAKENHI-PROJECT-20K21182, KAKENHI-PROJECT-17H04867
[Journal Article] Solving the Schroedinger equation with the free-complement chemical-formula theory: Variational study of the ground and excited states of Be and Li atoms2019
- Author(s)
  Hiroshi Nakatsuji, Hiroyuki Nakashima
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 150 Issue: 4
- DOI
  10.1063/1.5065565
- Peer Reviewed
- Data Source
  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] Solving the Schroedinger equation of hydrogen molecule with the free complement-local Schroedinger equation method: Potential energy curves of the ground and singly excited singlet and triplet states, Σ, Π, Δ, and Φ2018
- Author(s)
  Hiroyuki Nakashima, Hiroshi Nakatsuji
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 149 Issue: 24
- DOI
  10.1063/1.5060659
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H02257, KAKENHI-PROJECT-17H04867, 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] Analytical potential curve from Non-Born-Oppenheimer wave function: Application to hydrogen molecular ion2016
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Journal Title
  
  AIP Conference Proceedings
  
  Volume: 1790 Pages: 020017-020017
- DOI
  10.1063/1.4968643
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-16H00943
[Journal Article] Analytical potential curve from Non-Born-Oppenheimer wave function: Application to hydrogen molecular ion2016
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Journal Title
  
  AIP Conference Proceedings
  
  Volume: 未定
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-26108516
[Journal Article] Electronic excitation spectra of doublet anion radicals of cyanobenzene and nitrobenzene derivatives: SAC-CI theoretical studies2015
- Author(s)
  H. Nakashima, Y. Honda, T. Shida, and H. Nakatsuji
- Journal Title
  
  Molecular Physics
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-26108516
[Journal Article] Free-complement local-Schrodinger-equation method for solving the Schrodinger equation of atoms and molecules2015
- Author(s)
  H. Nakatsuji and H. Nakashima
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 142 Issue: 8
- DOI
  10.1063/1.4909520
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-26108516
[Journal Article] Solving the Schrodinger equations of some organic molecules with superparallel computer TSUBAME2014
- Author(s)
  H. Nakatsuji and H. Nakashima
- Journal Title
  
  TSUBAME e-Science Journal
  
  Volume: 11 Pages: 24-29
- NAID
  40020147244
- Data Source
  KAKENHI-PUBLICLY-26108516
[Journal Article] Solving the non-Born-Oppenheimer Schrodinger equation for hydrogen molecular ion with the free complement method II: Highly-accurate electronic, vibrational, and rotational excited states2013
- Author(s)
  H. Nakashima, Y. Hijikata, and H. Nakatsuji
- Journal Title
  
  The Astrophysical Journal
  
  Volume: 770 Issue: 2 Pages: 144-144
- DOI
  10.1088/0004-637x/770/2/144
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24654184
[Journal Article] Non-Born-Oppenheimer potential energy curve: Hydrogen molecular ion with highly accurate free complement method2013
- Author(s)
  H. Nakashima and H. Nakatsuji
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 139 Issue: 7
- DOI
  10.1063/1.4818161
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24654184
[Journal Article] Electronic excitation spectra of radical anions of cyanoethylenes and cyanobenzenes : Symmetry adapted cluster-configuration interaction study2012
- Author(s)
  H. Nakashima, T. Shida, and H. Nakatsuji
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 136巻 Issue: 21
- DOI
  10.1063/1.4722335
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24654184
[Journal Article] Analytical evaluations of exponentially correlated unlinked one-center, three-and four-electron integrals2012
- Author(s)
  C. Wang, P. Mei, Y. Kurokawa, H. Nakashima, H. Nakatsuji
- Journal Title
  
  Physical Review A
  
  Volume: 85巻 Issue: 4
- DOI
  10.1103/physreva.85.042512
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22750027
[Journal Article] Accurate solutions of the Schrodinger and Dirac equations of H2^+, HD^+, and HT^+: With and without Born-Oppenheimer approximation and under magnetic field2012
- Author(s)
  A. Ishikawa, H. Nakashima, H. Nakatsuji
- Journal Title
  
  Chemical Physics
  
  Volume: 401巻 Pages: 62-72
- DOI
  10.1016/j.chemphys.2011.09.013
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22750027
[Journal Article] Relativistic free complement method for correctly solving the Dirac equation with the applications to hydrogen isoelectronic atoms2011
- Author(s)
  H. Nakashima, H. Nakatsuji
- Journal Title
  
  Theoretical Chemistry Accounts
  
  Volume: 129巻 Issue: 3-5 Pages: 567-574
- DOI
  10.1007/s00214-011-0899-7
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22750027
[Journal Article] Solving the Schrodinger and Dirac equations for a hydrogen atom in the Universe's strongest magnetic fields with the free complement method2010
- Author(s)
  H.Nakashima, H.Nakatsuji
- Journal Title
  
  The Astrophysical Journal
  
  Volume: 725 Pages: 528-533
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22750027
[Journal Article] Solving the Schrodinger and Dirac equations for a hydrogen atom in the Universe's strongest magnetic fields with the free complement method2010
- Author(s)
  H. Nakashima, H. Nakatsuji
- Journal Title
  
  The Astrophysical Journal
  
  Volume: 725巻 Issue: 1 Pages: 528-533
- DOI
  10.1088/0004-637x/725/1/528
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22750027
[Journal Article] Solving the Schrodinger Equation of Hydrogen Molecular Ion in the Magnetic Field with the Free Complement Method
- Author(s)
  A.Ishikawa, H.Nakashima, H.Nakatsuji
- Journal Title
  
  Proceedings of QSCP-XVI
  
  Volume: (In press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22750027
[Journal Article] Accurate solutions of the Schrodinger and Dirac equations of H_2^+, HD^+, and HT^+ : With and without Born-Oppenheimer approximation and under magnetic field
- Author(s)
  A.Ishikawa, H.Nakashima, H.Nakatsuji
- Journal Title
  
  Chemical Physics
  
  Volume: (In press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22750027
[Journal Article] Solving the Schrodinger equation of hydrogen molecular ion in the magnetic field with the free complement method
- Author(s)
  A. Ishikawa, H. Nakashima, H. Nakatsuji
- Journal Title
  
  Proceedings of QSCP-XVI
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22750027
[Journal Article] Relativistic free complement method for correctly solving the Dirac equation with the applications to hydrogen isoelectronic atoms
- Author(s)
  H.Nakashima, H.Nakatsuji
- Journal Title
  
  Theoretical Chemistry Accounts
  
  Volume: (In press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22750027
[Presentation] 原子・分子へのFC chemical formula theoryの応用2023
- Author(s)
  中嶋浩之、中辻博
- Organizer
  第17回分子科学討論会
- Data Source
  KAKENHI-PROJECT-23K26623
[Presentation] 正確な量子化学理論の実践と応用: 化学研究への実用化を目指して2023
- Author(s)
  中嶋浩之、中辻博
- Organizer
  化学反応経路探索のニューフロンティア(SRPS2023)
- Invited
- Data Source
  KAKENHI-PROJECT-23K26623
[Presentation] 正確な量子化学理論の実践と応用: 化学研究への実用化を目指して2023
- Author(s)
  中嶋浩之、中辻博
- Organizer
  革新的量子化学シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-23K26623
[Presentation] Non-BO FC-LSE理論によるシュレーディンガー解の精密計算2021
- Author(s)
  中嶋浩之、中辻博
- Organizer
  第23回理論化学討論会
- Data Source
  KAKENHI-PROJECT-20K21182
[Presentation] シュレーディンガーレベルの量子化学の開発 II. Local SE法の高精度化2021
- Author(s)
  中嶋浩之、中辻博
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PROJECT-20K21182
[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(名古屋)
- Data Source
  KAKENHI-PROJECT-17H04867
[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(札幌)
- Data Source
  KAKENHI-PROJECT-17H04867
[Presentation] Implementation of Slater-type one-center atomic integrals for accurate variational calculations of small atoms by free complement theory2019
- Author(s)
  Hiroyuki Nakashima, Hiroshi, Nakatsuji
- Organizer
  The 9th Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC9), Sydney, Australia
- Invited
- Data Source
  KAKENHI-PROJECT-17H04867
[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(岡崎)
- Data Source
  KAKENHI-PROJECT-17H04867
[Presentation] Potential Energy Curves and Nature of Chemical Bonds Studied by the Free Complement Variational (FC-V) Theory2018
- Author(s)
  Hiroyuki Nakashima, Yusaku I. Kurokawa, Hiroshi Nakatsuji
- Organizer
  7th Japan-Czech-Slovak (JCS) Symposium, Prague, Czech
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H04867
[Presentation] Solving the Schroedinger Equations:Variational and Exact Calculations of Small Atoms and Molecules by the Free Complement Theory2018
- Author(s)
  Hiroyuki Nakashima, Yusaku I. Kurokawa, and Hiroshi Nakatsuji
- Organizer
  International WS on Quantum Chemistry/Quantum Chemical Calculations on Quantum Computers, Osaka City University, Osaka, Japan
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H04867
[Presentation] Free-Complement Chemical-Formula-Theory (FC-CFT) による簡単な分子の計算と金属間結合の研究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(福岡)
- Data Source
  KAKENHI-PROJECT-17H04867
[Presentation] non-BO Solutions and Analytical Potential Energy Curves by Solving the Schroedinger Equations of a few Electron Diatomic Molecules2018
- Author(s)
  Hiroyuki Nakashima, Hiroshi Nakatsuji
- Organizer
  16th International Congress of Quantum Chemistry (16th-ICQC), Menton, France
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H04867
[Presentation] Solving the BO and Non-BO Schroedinger equations andanalytical potential curves of small moleculeswith the free complement method2017
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  5th Awaji International Workshop on "Electron Spin Science & Technology: Biological and Materials Science Oriented Applications" (5th AWEST 2017)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-16H00943
[Presentation] Solving the Non-BO Schroedinger equations andanalytical potential curves of small moleculeswith the free complement method2017
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  International WS on Quantum Chemistry/Quantum Chemical Calculations on Quantum Computers
- Place of Presentation
  Osaka City University, Osaka, Japan
- Year and Date
  2017-03-29
- Invited
- Data Source
  KAKENHI-PROJECT-15K13632
[Presentation] 原子・分子のシュレーディンガー解データベースの構築：Exact Chemical Informaticsの開発に向けて2017
- Author(s)
  中嶋浩之、中辻博
- Organizer
  第11回分子科学討論会(仙台)
- Data Source
  KAKENHI-PROJECT-17H04867
[Presentation] Important and interesting message from the exact Non-BO solutions of the Schroedinger equationby the free-complement methodology2017
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  2nd International Symposium on Quantum Chemistry, KWANSEI GAKUIN University, Japan
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H04867
[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(京都)
- Data Source
  KAKENHI-PROJECT-17H04867
[Presentation] Solving the Schrödinger equations of interstellar molecules2016
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  Kobe workshop for material design on strongly correlated electrons in molecules and materials
- Place of Presentation
  RIKEN(AICS), Kobe, Japan
- Year and Date
  2016-02-17
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K13632
[Presentation] Solving the Schrödinger equations of interstellar molecules2016
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  Computational Chemistry (CC) Symposium in 12th International Conference of Computational Methods in Sciences and Engineering (ICCMSE2016)
- Place of Presentation
  Athens, Greece
- Year and Date
  2016-03-17
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K13632
[Presentation] Solving the Schrödinger equations of interstellar molecules2016
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  The Seventh Asia-Pacific Conference of Theoretical and Computational Chemistry
- Place of Presentation
  Kaohsiung, Taiwan
- Year and Date
  2016-01-25
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-26108516
[Presentation] 自由完員関数法に基づく正確なNon-BO計算の展開2016
- Author(s)
  中嶋浩之、中辻博
- Organizer
  第19回理論化学討論会
- Place of Presentation
  早稲田大学西早稲田キャンパス(東京)
- Year and Date
  2016-05-23
- Data Source
  KAKENHI-PUBLICLY-16H00943
[Presentation] 実験困難な不安定星間分子種のシュレーディンガー・レベルの精密量子化学計算2016
- Author(s)
  中嶋浩之、中辻博
- Organizer
  新学術領域「宇宙分子進化」全体集会
- Place of Presentation
  北海道大学低温科学研究所(札幌)
- Year and Date
  2016-07-11
- Data Source
  KAKENHI-PUBLICLY-16H00943
[Presentation] Solving the BO and Non-BO Schroedinger equations of small molecules by the free complement method2016
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXI)
- Place of Presentation
  University of British Columbia, Vancouver, Canada
- Year and Date
  2016-07-02
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K13632
[Presentation] 自由完員関数法による小さな分子のNon-BOシュレーディンガー方程式解の計算2016
- Author(s)
  中嶋浩之、中辻博
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸ファッションマート(神戸)
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PUBLICLY-16H00943
[Presentation] 正確なNon-BO計算理論と解析的ポテンシャル面2016
- Author(s)
  中嶋浩之、中辻博
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア」
- Place of Presentation
  京都教育文化センター(京都)
- Invited
- Data Source
  KAKENHI-PUBLICLY-16H00943
[Presentation] 超並列計算機による有機・無機化合物のシュレーディンガー解の計算2015
- Author(s)
  中嶋浩之、黒川悠索、中辻博
- Organizer
  High Performance Computing Chemistry (HPCC) 2015 ワークショップ
- Place of Presentation
  理化学研究所計算科学研究機構(AICS), 神戸
- Year and Date
  2015-12-01
- Invited
- Data Source
  KAKENHI-PUBLICLY-26108516
[Presentation] Solving the Schrödinger equation and constructing accurate database from interstellar molecules to general organic and inorganic molecules2015
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  6th Japan-Czech-Slovakia International Symposium on Theoretical Chemistry (6th JCS)
- Place of Presentation
  Smolenice Castle (near Bratislava), Slovakia
- Year and Date
  2015-10-11
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K13632
[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. I2015
- Author(s)
  中嶋浩之、黒川悠索、中辻博
- Organizer
  第18回理論化学討論会
- Place of Presentation
  大阪大学, 大阪
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-15K13632
[Presentation] Solving the Schrödinger equations by the FC-LSE method: Application to some organic molecules. I2015
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  The 15th International Congress of Quantum Chemistry (The 15th ICQC)
- Place of Presentation
  Beijing, China
- Year and Date
  2015-06-08
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-26108516
[Presentation] FC-LSE法による分子のシュレーディンガー解の計算:局所性に基づく理論展開2015
- Author(s)
  中嶋浩之、黒川悠索、中辻博
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京工業大学, 東京
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-15K13632
[Presentation] 星間分子のシュレーディンガー方程式の精密量子化学計算2015
- Author(s)
  中嶋浩之、中辻博
- Organizer
  「宇宙分子進化」全体集会
- Place of Presentation
  北海道大学, 札幌
- Year and Date
  2015-10-22
- Data Source
  KAKENHI-PUBLICLY-26108516
[Presentation] 星間分子の超精密量子化学計算2014
- Author(s)
  中嶋浩之、中辻博
- Organizer
  「階層と全体」シンポジウム
- Place of Presentation
  桑山ビル (名古屋)
- Invited
- Data Source
  KAKENHI-PROJECT-24654184
[Presentation] 星間分子の超精密量子化学計算2014
- Author(s)
  中嶋浩之,中辻博
- Organizer
  国立天文台談話会
- Place of Presentation
  国立天文台(東京)
- Year and Date
  2014-04-04
- Data Source
  KAKENHI-PROJECT-24654184
[Presentation] 星間分子の超精密量子化学計算2014
- Author(s)
  中嶋浩之、中辻博
- Organizer
  国立天文台談話会
- Place of Presentation
  国立天文台 (東京)
- Year and Date
  2014-04-04
- Invited
- Data Source
  KAKENHI-PUBLICLY-26108516
[Presentation] 星間分子の超精密量子化学計算2014
- Author(s)
  中嶋浩之,中辻博
- Organizer
  「階層と全体」シンポジウム
- Place of Presentation
  桑山ビル(名古屋)
- Invited
- Data Source
  KAKENHI-PROJECT-24654184
[Presentation] 星間分子の超精密量子化学計算2014
- Author(s)
  中嶋浩之、中辻博
- Organizer
  国立天文台談話会
- Place of Presentation
  国立天文台 (東京)
- Invited
- Data Source
  KAKENHI-PROJECT-24654184
[Presentation] Solving the Schrodinger equations of some organic molecules with the free complement - local Schrodinger equation method2014
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  XXVI International Conference on Organometallic Chemistry (ICOMC2014)
- Place of Presentation
  Royton Sapporo (札幌)
- Year and Date
  2014-07-14
- Data Source
  KAKENHI-PUBLICLY-26108516
[Presentation] Determinant-based antisymmetrization theory for the partially correlated wave functions: Nk algorithm2013
- Author(s)
  H. Nakashima and H. Nakatsuji
- Organizer
  5th JCS International Symposium on Theoretical Chemistry (5th JCSI)
- Place of Presentation
  Todai-ji Culture Center (Nara, Japan)
- Data Source
  KAKENHI-PROJECT-24654184
[Presentation] Determinant-based antisymmetrization theory for the partially correlated wave functions : Nk algorithm2013
- Author(s)
  H. Nakashima and H. Nakatsuji
- Organizer
  5th JCS International Symposium on Theoretical Chemistry (5th JCSI)
- Place of Presentation
  Nara (Japan)
- Data Source
  KAKENHI-PROJECT-24654184
[Presentation] FC-LSE法の解法としてのAB法2012
- Author(s)
  中嶋浩之、中辻博
- Organizer
  第15回理論化学討論会
- Place of Presentation
  仙台
- Data Source
  KAKENHI-PROJECT-24654184
[Presentation] FC-LSE-AB法による原子・分子系のシュレーディンガー解の計算2012
- Author(s)
  中嶋浩之,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-24654184
[Presentation] FC-LSE法の解法としてのAB法2012
- Author(s)
  中嶋浩之,中辻博
- Organizer
  第15回理論化学討論会
- Place of Presentation
  東北大学(仙台)
- Data Source
  KAKENHI-PROJECT-24654184
[Presentation] Solving the Schrodinger and Dirac equations of atoms and molecules with massively parallel computer2012
- Author(s)
  H. Nakashima, A. Ishikawa, Y. Kurokawa, and 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-24654184
[Presentation] Solving the Schrodinger equation of general molecule with the from atom to molecule method2012
- Author(s)
  H. Nakashima and H. Nakatsuji
- Organizer
  The 17th Malaysian Chemical Congress (17th MCC)
- Place of Presentation
  Kuala Lumpur (Malaysia)
- Invited
- Data Source
  KAKENHI-PROJECT-24654184
[Presentation] FC-LSE-AB法による原子・分子系のシュレーディンガー解の計算2012
- Author(s)
  中嶋浩之、中辻博
- Organizer
  第6回分子科学討論会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-24654184
[Presentation] Solving the Schrodinger and Dirac-Coulomb equations : Applications to a few-electron atoms and molecules2011
- Author(s)
  H.Nakashima, H.Nakatsuji
- Organizer
  14th Asian Chemical Congress 2011 (14th ACC)
- Place of Presentation
  Bangkok (Thailand)
- Year and Date
  2011-09-06
- Data Source
  KAKENHI-PROJECT-22750027
[Presentation] Solving the Schrodinger and Dirac-Coulmb equations : Applications to a few-electron atoms and molecules2011
- Author(s)
  H. Nakashima, H. Nakatsuji
- Organizer
  14th Asian Chemical Congress 2011(14th ACC)
- Place of Presentation
  Bangkok(Thailand)
- Year and Date
  2011-09-06
- Data Source
  KAKENHI-PROJECT-22750027
[Presentation] Solving the Schrodinger and Dirac-Coulmb equations with and without magnetic fields2011
- Author(s)
  H. Nakashima, H. Nakatsuji
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics(16th QSCP)
- Place of Presentation
  Kanazawa(Japan)
- Year and Date
  2011-09-15
- Data Source
  KAKENHI-PROJECT-22750027
[Presentation] Solving the Schrodinger and Dirac-Coulomb equations with and without magnetic fields2011
- Author(s)
  H.Nakashima, H.Nakatsuji
- Organizer
  XVIth International Workshop on Quantum Systems in Chemistry and Physics (16th QSCP)
- Place of Presentation
  Kanazawa (Japan)
- Year and Date
  2011-09-15
- Data Source
  KAKENHI-PROJECT-22750027
[Presentation] Free Complement法によるディラック-クーロン方程式の解法に対する考察と最近の進展2011
- Author(s)
  中嶋浩之,中辻博
- Organizer
  第14回理論化学討論会
- Place of Presentation
  岡山
- Year and Date
  2011-05-14
- Data Source
  KAKENHI-PROJECT-22750027
[Presentation] Solving the Schrodinger and Dirac-Coulomb equations2010
- Author(s)
  H.Nakashima, H.Nakatsuji
- Organizer
  Pacifichem 2010
- Place of Presentation
  Honolulu (USA)
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-22750027
[Presentation] Solving the Schrodinger and Dirac-Coulmb equations2010
- Author(s)
  H. Nakashima, H. Nakatsuji
- Organizer
  Pacifichem 2010
- Place of Presentation
  Honolulu(USA)
- Year and Date
  2010-12-18
- Data Source
  KAKENHI-PROJECT-22750027
[Presentation] 星間化合物の量子スペクトルのシュレーディンガー・レベルの計算
- Author(s)
  中嶋浩之、中辻博
- Organizer
  「宇宙分子進化」第二回全体集会
- Place of Presentation
  東京大学
- Year and Date
  2014-06-23 – 2014-06-24
- Data Source
  KAKENHI-PUBLICLY-26108516
[Presentation] Solving the Schrodinger equations of interstellar molecules
- Author(s)
  Hiroyuki Nakashima and Hiroshi Nakatsuji
- Organizer
  Workshop on Intersteller Matter 2014
- Place of Presentation
  北海道大学
- Year and Date
  2014-10-17 – 2014-10-18
- Data Source
  KAKENHI-PUBLICLY-26108516
[Presentation] 分子のシュレーディンガー解の計算: iExg法の計算アルゴリズム
- Author(s)
  中嶋浩之、中辻博
- Organizer
  第8回分子科学討論会
- Place of Presentation
  広島大学
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PUBLICLY-26108516
[Presentation] iExg法による原子・分子のシュレーディンガー解の計算
- Author(s)
  中嶋浩之、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-PUBLICLY-26108516

1. NAKATSUJI Hiroshi (90026211)

# of Collaborated Projects: 1 results

# of Collaborated Products: 26 results
2. 黒川悠索

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results

Nakashima Hiroyuki 中嶋 浩之

NAKASHIMA Hiroyuki 中嶋 浩之

Research Projects

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Co-Researchers

量子計算機で解くシュレーディンガー厳密解法の開発Principal Investigator

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Constructing theoretical atomic spectra and molecular wave functions on the Schroedinger-level accuracyPrincipal Investigator

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Solving the Non-BO Schroedinger equations and analytical potential energy surfacePrincipal Investigator

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実験困難な不安定星間分子種のシュレーディンガー・レベルの精密量子化学計算Principal Investigator

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Developments of the methods for accurately solving the Dirac equations of atoms and molecules including heavy elementsPrincipal Investigator

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星間化合物の量子スペクトルのシュレーディンガー・レベルの計算Principal Investigator

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Accurate Quantum Chemistry for Space and Ultimate SciencePrincipal Investigator

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Quantum Chemistry for Atoms and Molecules in Strong Magnetic FieldsPrincipal Investigator

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[Journal Article] Accurate Scaling Functions of the Scaled Schroedinger Equation. II. Variational Examination of the Correct Scaling Functions with the Free Complement Theory Applied to the Helium Atom2024

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[Journal Article] Potential Energy Curves of the Low-Lying Five 1Σ+ and 1Π States of a CH+ Molecule Based on the Free Complement - Local Schroedinger Equation Theory and the Chemical Formula Theory2023

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[Journal Article] Solving the Schrodinger equation of a planar model H4 molecule2023

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[Journal Article] Accurate scaling functions of the scaled Schroedinger equation2022

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[Journal Article] Inverse Hamiltonian method assisted by the complex scaling technique for solving the Dirac-Coulomb equation: Helium isoelectronic atoms2020

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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

Author(s)

Nakashima Hiroyuki 中嶋浩之

NAKASHIMA Hiroyuki 中嶋浩之