Dynamics theory of the Elementary Chemical Reactions

（1）量子反应动力学：潜在的桥梁的概念成功地引入了已确定氢转移反应动力学。Furthermore，计算机程序是按顺序开发的，用于调查电子和非有机化学反应。这已应用于DH^+_2系统和反应机制是明确的。本程序可在系统上应用于其他系统。One example is O（^1 D）HCl system。（2）以朱中村理论为基础的半式理论的发展。通过将Zhu-Nakamura理论转化为轨迹表面跳跃方法，我们可以证明我们的理论的有效性，以调查电子和非有机反应。我们可以确定一个机制，其中的机制是不能由传统方法来完成的。（3）用激光器控制分子过程：Teranishi-Nakamura理论，在那些分子过程是由穿着的国家控制的非电子过渡的情况下，它又进一步扩展了，这样可以使用的实验上可感知的线性弯曲脉冲。这一理论被应用到了接近能源水平的选择性刺激，也被证明是一种有效的方法，以完成diatomic分子的电子刺激。（4）多尺寸隧道的新理论：以instanton理论为基础，我们成功地形成了一个。一个新的强大理论，可以在任何高尺寸的系统中进行隧道分割。它被应用于21-dimensional malonaldehyde分子，并使其有效地工作。

(1) Quantum reaction daynamics : The concept of potential ridge was successfully introduced to alrify the hydrogen transfer reaction dynamics. Furthermore, computer program was developed in order to investigate electronically nonadiabatic chemical reactions. This was applied to DH^+_2 system and reaction mechanisms are clarified. This program can be applied to other systems systematically. One example is O(^1D)HCl system.(2) Development of semiclassical theory based on the Zhu-Nakamura theory. By incorporating the Zhu-Nakamura theory into the trajectory surface hopping method, we could demonstrate the effectiveness of our theory to investigate electronically nonadiabatic reactions. We can clarify the mechanisms which cannot be done by the conventional methods.(3) Control of molecular processes by lasers : The Teranishi-Nakamura theory, in which molecular processes are controlled by controlling nonadiabatic transitions among dressed states, are further extended so that experimentally feasible linearly chirped pulses can be used. This ne」・theory was applied to selective excitation among closely lying enery levels and also to complete electronic excitation of a diatomic molecule and was proved to be a useful method.(4) New theory of multi-dimensional tunneling : Based on the instanton theory, we have successfully formulated a。。new powerful theory to deal with tunneling splitting in virtually any high dimensional system. This was applied to a 21-dimensional malonaldehyde molecule and proved to work effectively.