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JOINT STUDY ON CHEMICAL REACTION THEORY FOR MULTI-DIMENSIONAL SYSTEMS

多维系统化学反应理论联合研究

基本信息

批准号：
08044110
负责人：
FUKUI Kenichi
金额：
$ 3.46万
依托单位：
INSTITUTE FOR FUNDAMENTAL CHEMISTRY
依托单位国家：
日本
项目类别：
Grant-in-Aid for international Scientific Research
财政年份：
1996
资助国家：
日本
起止时间：
1996 至 1997
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-08044110/
关键词：
QUANTUM DIFFUSION NONLINEAR EFFECT QUANTUM CHAOS DIFFUSION PROCESS NONINTEGRABLE SYSTEM DISSIPATION PROCESS NONEQUILIBRIUM STATIONARY STATE RELAXATION PROCESS

项目摘要

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).

在这一国际科学研究计划中，通知化学反应的多维性，研究重点是以下两点：（a）它们是依赖于时间的量子动力学过程和（B）非线性，非稳态和非平衡过程。首先，（1）目前，对于粗粒化的多自由度系统，即化学反应系统，建立了一些理论模型。（2）探讨了系统实现的有效方法. 1997年6月9日至16日，在访问匹兹堡大学Coalson博士的实验室期间，长冈进行了关于溶液中如何发生能量传递的联合研究，并讨论了如何发展化学反应多体系统的路径积分方法（Coalson & Nagaoka）。此外，在Gaspard博士访问期间（1998年1月15日至22日），他执行了基于量子态扩散模型（Gaspard & Nagaoka）的量子扩散过程的波函数方法。在Tasaki访问布鲁塞尔（1998年1月2 - 12日）和Gaspard博士访问京都（1998年1月15 - 22日）期间，Tasaki与Gaspard博士共同推进了关于Hoph分岔和非线性非平衡定态的随机处理以及多面包师变换及其变换的松弛模式的研究（Gaspard & Tasaki）。