关于基态量子场催化起源的平衡思考
On the Origin of Ground-State Vacuum-Field Catalysis: Equilibrium Consideration
摘要：
最近的实验表明，振动强耦合（VSC）可以显着修改基态化学反应和它们的速率，即使没有外部泵浦。这种“真空场催化”的内在机制在很大程度上仍不清楚。一般来说，基态电子态中的热反应的改变可以由平衡或非平衡效应引起。前者与化学反应速率的过渡态理论所表示的反应物平衡分布的修改有关，而后者则源于到达和离开过渡构型的动力学。在这里，我们研究的VSC效应在腔环境中的化学速率计算的过渡态理论。我们的方法是检查耦合到腔模式（S）上的潜在的平均力（PMF）与反应坐标的影响。在经典核和经典光子的背景下，我们发现，虽然保偏光纤可以受到腔环境的影响，这种影响是可以忽略不计的通常用于检查VSC的情况下的腔。
英文摘要：
Recent experiments suggest that vibrational strong coupling (VSC) may significantly modify ground-state chemical reactions and their rates even without external pumping. The intrinsic mechanism of this "vacuum-field catalysis" remains largely unclear. Generally, modifications of thermal reactions in the ground electronic states can be caused by equilibrium or non-equilibrium effects. The former are associated with modifications of the reactant equilibrium distribution as expressed by the transition state theory of chemical reaction rates, while the latter stem from the dynamics of reaching and leaving transition configurations. Here, we examine the VSC effect in a cavity environment on chemical rates as calculated by transition state theory. Our approach is to examine the effect of coupling to cavity mode(s) on the potential of mean force (PMF) associated with the reaction coordinate. Within the context of classical nuclei and classical photons, we find that while the PMF can be affected by the cavity environment, this effect is negligible for the usual cavities used to examine VSC situations.
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