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JOINT STUDY ON CHEMICAL REACTION THEORY FOR MULTI-DIMENSIONAL SYSTEMS

Research Project

Project/Area Number 08044110
Research Category

Grant-in-Aid for international Scientific Research

Allocation TypeSingle-year Grants
SectionJoint Research
Research Field Physical chemistry
Research InstitutionINSTITUTE FOR FUNDAMENTAL CHEMISTRY

Principal Investigator

FUKUI Kenichi  INST.FOR FUNDAMENTAL CHEM., DIRECTOR, 所長 (40025739)

Co-Investigator(Kenkyū-buntansha) ギャスパード ピエール  ブリュッセル自由大学, 上級研究員
ハンギ ピーター  アウグスブルク大学, 教授
コールソン ロブ  ピッツバーグ大学, 助教授
TASAKI Shuichi  NARA UNIVERSITY OF WOMEN,ASSOCIATE PROFESSOR, 理学部, 助教授 (10260150)
NAGAOKA Masataka  INST.FOR FUNDAMENTAL CHEM., CHIEF RESEARCHER, 主任研究員 (50201679)
COALSON Rob D.  UNIVERSITY OF PITTSBURGH,ASSOCIATE PROFESSOR
HANGGI Peter  UNIVERSITY OF AUGUSBURG,PROFESSOR
GASPARD Pierre  FREE UNIVERSITY OF BRUSSELS,PROFESSOR
ギャスパート ピエール  ブリュッセル自由大学, 上級研究員
GASPARD Pier  ブリュッセル自由大学, 上級研究員
HANGGI Peter  アウグスブルグ大学, 教授
COALSON Rob  ピッツバーグ大学, 助教授
Project Period (FY) 1996 – 1997
Project Status Completed (Fiscal Year 1997)
Budget Amount *help
¥5,400,000 (Direct Cost: ¥5,400,000)
Fiscal Year 1997: ¥2,700,000 (Direct Cost: ¥2,700,000)
Fiscal Year 1996: ¥2,700,000 (Direct Cost: ¥2,700,000)
KeywordsQUANTUM DIFFUSION / NONLINEAR EFFECT / QUANTUM CHAOS / DIFFUSION PROCESS / NONINTEGRABLE SYSTEM / DISSIPATION PROCESS / NONEQUILIBRIUM STATIONARY STATE / RELAXATION PROCESS
Research Abstract

In this International Scientific Research Program, notifying the multidimensionality of chemical reactions, the research was executed focusing the following two points : (a) they are time-dependent quantum dynamical processes and (b) non linear, nonstationary and nonequilibrium processes. First of all, (1) some theorical models were cpmstructed fy coarse-graining such many-degrees-of-freedom systems, i.e.chemical reacting systems, presently. Further, (2) some effective and inevitable methods were surveyed for the systems.
1. During the visit to Dr.Coalson's laboratory at University of Pittsburgh (Jun.9-16,1997), Nagaoka has proceeded with the joint research about how the energy transfer occurs in solution and discussed the way to develop the Path-integral method to chemical reactive multi-body systems (Coalson & Nagaoka). Further, during the visit of Dr.Gaspard (Jan.15-22,1998), he executed the wavefunction approach with respect to the quantum diffusion processes on the basis of the quantum state diffusion model (Gaspard & Nagaoka).
2. During the visits of Tasaki to Brussels (Jan.2-12,1998) and Dr.Gaspard to Kyoto (jan.15-22,1998), Tasaki has advanced the joint study with Dr.Gaspard with respect to the stochastic treatment of the Hoph bifurcation and the nonlinear and nonequilibrim stationary states and the relaxation modes for the multibaker transformation and its transforms (Gaspard & Tasaki).

Report

(3 results)
  • 1997 Annual Research Report   Final Research Report Summary
  • 1996 Annual Research Report
  • Research Products

    (16 results)

All Other

All Publications (16 results)

  • [Publications] 長岡 正隆: "凝縮系の化学反応と確率数値解析ー複素時間形式の確率過程量子化におけるLangevin方程式ー" 数理解析研究所講究録. 1032. (1998)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Masataka Nagaoka: "A Dividing Surface from a Barrier Recrossing Motion in Many-Body Systems" Chemical Physics Letters. 265. 10838-10848 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Shuichi Tasaki: "Non-Adiabatic Crossing of Decaying Levels" Advances in Chemical Physics. 99. 333-368 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Shuichi Tasaki: "Interior Dirichlet Eigenvalue Problem, Exterior Neumann Scattering Problem and Boundary Element Method for Quantum Billiards" Physical Review E. 56. R13-R16 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Masataka Nagaoka: "Chemical Reactions in Condensed Phase and Stochastic Numerical Analyzes --- Langevin Equation in Complex Time Stochastic Quantization ---" Surikaiseki-Kenkyusho Kokyuroku. 1032. (1998)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Tamiki Komatsuzaki and Masataka Nagaoka: "A Dividing Surface Free from a Battier Recrossing Motion, in Many-Body Systems" Chemical Physics Letters. 265. 91-98 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Tamiki Komatsuzaki and Masataka Nagaoka: "Study on "Regurality" of Barrier Recrossing Motion" Journal of Chemical Physics. 105. 10838-10848 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] V.V.Kocharovsky, VL.V.Kocharovsky and Shuichi Tasaki: "Nonadiabatic Crossing of Decaying Levels" Advances in Chenical Physics. 99. 333-368 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] Shuichi Tasaki, Takahisa Harayama and Akira Shudo: "Interior Dirichlet Eigenvalue Problems, Exterior Neumann Scattering Problem, and Boundary Element Method for Quantum Billiards" Physical Review E. 56. R13-R16 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1997 Final Research Report Summary
  • [Publications] 長岡 正隆: "凝縮系の化学反応と確率数値解析-複素時間形式の確率過程量子化におけるLangevin方程式-" 数理解析研究所講究録. 1032. (1998)

    • Related Report
      1997 Annual Research Report
  • [Publications] Masataka Nagaoka: "A Dividing Surface from a Barrier Recrossing Motion in Many-Body Systems" Chemical Physics Letters. 265. 10838-10848 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Shuichi Tasaki: "Non-Adiabatic Crossing of Decaying Levels" Advances in Chemical Physics. 99. 333-368 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] Shuichi Tasaki: "Interior Dirichlet Eigenvalue Problem,Exterior Neumann Scattering Problem and Boundary Element for Ouantum Billiards" Physical Review E. 56. R13-R16 (1997)

    • Related Report
      1997 Annual Research Report
  • [Publications] M.Nagaoka and P.Gaspard: "Stochatic Quantum Dynamics for Chemical Reactions in Solution" J.Chem.Phys.(発表予定).

    • Related Report
      1996 Annual Research Report
  • [Publications] P.Reimann,M.Nagaoka and P.Haggi: "A Chemical Reaction Theory Coupled to the Nonequilibnium Environment" J.Chem.Phys.(発表予定).

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Tasaki and P.Gaspard: "Eigenvalue Problem of Evolution Operators and Disspation in Conservative Maps" 物性研究. 66. 21-44 (1996)

    • Related Report
      1996 Annual Research Report

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Published: 1996-04-01   Modified: 2016-04-21  

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