JOINT STUDY ON CHEMICAL REACTION THEORY FOR MULTI-DIMENSIONAL SYSTEMS

本国际科学研究项目考虑到化学反应的多维性，重点研究了两个方面：(a)随时间变化的量子动力学过程；(b)非线性、非平稳、非平衡过程。首先，(1)目前针对粗粒度的多自由度系统（如化学反应系统）建立了一些理论模型。在此基础上，(2)探讨了一些有效的、不可避免的方法。在访问匹兹堡大学Coalson博士的实验室期间（1997年6月9日至16日），Nagaoka进行了关于溶液中能量传递如何发生的联合研究，并讨论了开发化学反应性多体系统的路径积分方法的方法（Coalson & Nagaoka）。此外，在Dr.Gaspard（1998年1月15-22日）访问期间，他在量子态扩散模型（Gaspard & Nagaoka）的基础上对量子扩散过程执行了波函数方法。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博士就Hoph分岔的随机处理、非线性和非平衡稳态以及multibaker变换及其变换的松弛模式进行了联合研究（Gaspard & Tasaki）。

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).