Impenetrable barriers in phase-space.
Impenetrable barriers in phase-space.
复制标题
相空间中不可逾越的障碍。
作者：
Stephen Wiggins;L. Wiesenfeld;C. Jaffé;T. Uzer
动力系统理论被用来构建一个一般的相空间版本的过渡态理论。特殊的多维separatrices被发现作为不可穿透的障碍，在相空间之间的反应和nonreacting轨迹。反应物和产物之间的难以捉摸的动量依赖的过渡态的特征。给出了一个实用的算法，并应用于强耦合哈密顿量。
Dynamical systems theory is used to construct a general phase-space version of transition state theory. Special multidimensional separatrices are found which act as impenetrable barriers in phase-space between reacting and nonreacting trajectories. The elusive momentum-dependent transition state between reactants and products is thereby characterized. A practical algorithm is presented and applied to a strongly coupled Hamiltonian.