用Bohmian力学研究过渡态的时域共振：F+ HD反应
Investigating transition state resonances in the time domain by means of Bohmian mechanics: The F+HD reaction
摘要：
在这项工作中，我们调查的存在过渡态共振原子硅藻反应碰撞从含时的角度来看，强调量子轨道的作用，作为一种工具来分析这一现象。如图所示，当人们关注量子概率流密度时，可以提取关于反应过程的新的动力学信息。为了研究不同转动布居数及其动力学/相干性的影响，我们考虑了一个约化的二维动力学，它是由一个与特定角度相关的全三维量子含时波包的演化得到的.这个约化过程为我们提供了关于径向自由度（r，R）和角自由度（γ）之间纠缠的信息，这可以被认为是描述了一个环境。这里提出的组合方法已被应用于研究F+HD反应，FH+D产物通道表现出共振介导的动力学。
英文摘要：
In this work, we investigate the existence of transition state resonances on atom-diatom reactive collisions from a time-dependent perspective, stressing the role of quantum trajectories as a tool to analyze this phenomenon. As it is shown, when one focusses on the quantum probability current density, new dynamical information about the reactive process can be extracted. In order to detect the effects of the different rotational populations and their dynamics/coherences, we have considered a reduced two-dimensional dynamics obtained from the evolution of a full three-dimensional quantum time-dependent wave packet associated with a particular angle. This reduction procedure provides us with information about the entanglement between the radial degrees of freedom (r,R) and the angular one (γ), which can be considered as describing an environment. The combined approach here proposed has been applied to study the F+HD reaction, for which the FH+D product channel exhibits a resonance-mediated dynamics.
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