论文标题
外部驾驶对LICN异构化几何形状的衰减的影响
Influence of external driving on decays in the geometry of the LiCN isomerization
论文作者
论文摘要
过渡状态理论的框架依赖于确定反应性的几何结构的确定。它取代了很长一段时间以来的许多轨迹的艰辛练习，以提供化学反应速率和途径。在本文中，即使在时间依赖的系统中构建这种几何形状的最新进展也应用于licn $ \ rightleftharpoons $ linc Isomerization Reaction，这是由外部场驱动的。我们通过利用轨迹动力学的局部特性和接近它的局部特性来获得接近过渡状态的反应物种群的衰减率。我们发现，与非驱动异构化反应相比，外部驾驶对这些衰减率有很大的影响。反过来，这为通过外部时间依赖性领域控制化学反应的可能性提供了新的证据。
The framework of transition state theory relies on the determination of a geometric structure identifying reactivity. It replaces the laborious exercise of following many trajectories for a long time to provide chemical reaction rates and pathways. In this paper, recent advances in constructing this geometry even in time-dependent systems are applied to the LiCN $\rightleftharpoons$ LiNC isomerization reaction, driven by an external field. We obtain decay rates of the reactant population close to the transition state by exploiting local properties of the dynamics of trajectories in and close to it. We find that the external driving has a large influence on these decay rates when compared to the non-driven isomerization reaction. This, in turn, provides renewed evidence for the possibility of controlling chemical reactions, like this one, through external time-dependent fields.
