JOINT STUDY ON CHEMICAL REACTION THEORY FOR MULTI-DIMENSIONAL SYSTEMS

在这个国际科学研究计划中，为了通知化学反应的多维性，这项研究集中在以下两点上：(A)它们是依赖时间的量子动力学过程，(B)非线性、非平稳和非平衡过程。首先，(1)建立了目前粗粒化的多自由度系统，即化学反应系统的一些理论模型。在此基础上，(2)总结了一些有效的和必然的方法。在1997年6月9日至16日访问匹兹堡大学Coalson博士的实验室期间，Nagaoka进行了关于溶液中如何发生能量转移的联合研究，并讨论了发展化学反应多体系统(Coalson&Nagaoka)的路径积分方法的途径。此外，在Gaspard博士的访问期间(1998年1月15日至22日)，他在量子态扩散模型(Gaspard&Nagaoka)的基础上执行了关于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日至12日)和Gaspard博士访问京都(1998年1月15日至22日)期间，Tasaki与Gaspard博士推进了关于Hoph分叉、非线性和非平衡定态的随机处理以及多面包者变换及其变换的松弛模式的联合研究(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).