• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to project page

2011 Fiscal Year Final Research Report

Quantum Chemistry for Atoms and Molecules in Strong Magnetic Fields

Research Project

  • PDF
Project/Area Number 22750027
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeSingle-year Grants
Research Field Physical chemistry
Research InstitutionQuantum Chemistry Research Institute

Principal Investigator

NAKASHIMA Hiroyuki  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 (80447911)

Research Collaborator NAKATSUJI Hiroshi  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, 研究所長 (90026211)
Project Period (FY) 2010 – 2011
Keywords理論化学 / 強磁場科学
Research Abstract

Atoms and molecules in strong magnetic fields are expected to show interesting phenomena due to a complicated coupling between spin-magnetic interaction and electric Coulomb force. In the present study, we have directly solved the Schrodinger and relativistic Dirac equations of atoms and molecules in strong magnetic fields and it makes possible to give quantitative predictions with their very accurate solutions. We have applied our method to the systems interesting in space science and also showed the wide range of application potentiality.

  • Research Products

    (9 results)

All 2012 2011 2010 Other

All Journal Article (5 results) (of which Peer Reviewed: 5 results) Presentation (4 results)

  • [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 Pages: 042512-1-14

    • DOI

      DOI:10.1103/PhysRevA.85.042512

    • Peer Reviewed
  • [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

      DOI:10.1016/j.chemphys.2011.09.013

    • Peer Reviewed
  • [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 Pages: 567-574

    • DOI

      DOI:10.1007/s00214-011-0899-7

    • Peer Reviewed
  • [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 Pages: 528-533

    • DOI

      DOI:10.1088/0004-637X/725/1/528

    • Peer Reviewed
  • [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
  • [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
  • [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
  • [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
  • [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

URL: 

Published: 2013-07-31  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi