化学反应中的几何相效应

锥形交叉可以通过几何相效应影响核动力学.在过去的一些年里关于锥形交叉的理论有大量的发展和进步,本文综述了分子反应动力学领域针对几何相效应研究的一些理论成果.介绍了分子反应动力学中与几何相效应直接相关的一些最新成果,同时也对这些重要结果进行了解释.我们相信几何相效应将会在非绝热化学中发挥最重要的作用.

Some Developments of Geometric Phase Effects in Chemical Reactions

Despite the central position of Born-Oppenheimer approximation in chemical theory, its breakdowns, electronically nonadiabatic processes are ubiquitous. On the ground state potential energy surface, a conical intersection produces the geometric phase effect. A conical intersection could influence the nuclear dynamics through the geometric phase effect. The origin of the geometric phase effect and some theoretical approaches including the geometric phase effect are reviewed. Some recent results concerned with the geometric phase effect in reaction dynamics are demonstrated and there are explanations for these intriguing results. There are also some predictions for the future of the geometric phase effects in reaction dynamics. It is pointed out that the geometric phase effect will play the most important role in nonadiabatic chemistry.