| Project/Area Number |
61303001
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| Research Category |
Grant-in-Aid for Co-operative Research (A)
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| Allocation Type | Single-year Grants |
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| Research Field |
物理化学一般
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| Research Institution | Okazaki National Research Institutes |
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Principal Investigator |
NAKAMURA Hiroki Okazaki National Research Institutes, Institute for Molecular Science, 分子科学研究所, 教授 (10010935)
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| Co-Investigator(Kenkyū-buntansha) |
FUJIMURA Yuichi Tohoku University, Dept. of Chemistry, 理学部・化学科, 助教授 (90004473)
TSUKADA Masaru University of Tokyo, Dept. of Physics, 理学部・物理学科, 助教授 (90011650)
KATO Shigeki University of Tokyo, College of Arts and Sciences, 教養学部・化学科, 助教授 (20113425)
OHMINE Iwao Okazaki National Research Institutes, Institute for Molecular Science, 分子科学研究所, 助教授 (60146719)
IWATA Suehiro Keio University, Dept. of Chemistry, 理工学部・化学科, 教授 (20087505)
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| Project Period (FY) |
1986 – 1987
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| Project Status |
Completed (Fiscal Year 1987)
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| Budget Amount *help |
¥4,200,000 (Direct Cost: ¥4,200,000)
Fiscal Year 1987: ¥1,200,000 (Direct Cost: ¥1,200,000)
Fiscal Year 1986: ¥3,000,000 (Direct Cost: ¥3,000,000)
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| Keywords | Reaction dynamics / Nonradiative transition / Finite element method / Superexcited state / Quantum defect theory / Resonant multiphoton process / Nonadiabatic transition / Energy relaxation / Molecular dynamics method / Solution / Master equation / Photodissociation / Cluster / 固体表面散乱 / 多光子過程 / 固体表面 |
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| Research Abstract |
Researches successfully performed in the past two years are summarized as follows: 1. Elementary reaction processes and dynamic processes of electronically excited states in gas phase. (1) Problems in three-body scattering theory such as the concept of cross section and the divergence problem have been investigated (Ichimura). (2) Research on reaction dynamics: (i) reactivity of coordination compounds (Aono), (ii) development and application of approximate quantum mechanical methods to atom transfer reactions (Nakamura), (iii) photodissociation of dimer to investigate orientation dependence of reaction (kajimoto). (3) Research on dynamic processes of electronically excited states, (i) nonradiative decay of benzene S_1 state (Kato), (ii) development and application of nu merical methods such as the Lanczos-Recursive spectrum and the finite element method (Iwata), (iii) MQDT formulation of Stark effect of molecular Rydberg states (Sakimoto), (iv) calculation of molecular superexcited states and their dynamic prooesses (Shimamura, Takagi, Nakamura) and (v) formulation of resonant multiphoton transitions in terms of density matrix (Fujimura).
2. Dynamic processes in molecular assemblies. (1) Formulation of relaxation process of positive muon in condensed medium in terms of path integral (kitahara). (2) Energy relaxation of photoexcited ethylene in Ar and water solvent, and large energy fluctuation of water studied by the MD method (ohmine).(3) Derivation of generalized master equation, investigations of electron attachment to and evaporation of clusters, photostimulated electric field desorption on solid surface, and electron exchange atom-surface scattering process (Tsukada).
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