Dynamical Switching Of A Reaction Coordinate To Carry The System Through To A Different Product State At High Energies
PHYSICAL REVIEW LETTERS(2011)
摘要
Questions of how the nature of a reaction coordinate that dominates the reaction ceases to exist and whether some new features emerge as an increase of total energy of systems are investigated for many degrees of freedom Hamiltonian systems. As a model system, a hydrogen atom in crossed electric and magnetic fields is scrutinized. It is shown that, when the total energy increases, the reaction coordinate no longer dominates the reaction as did at the lower energies. In turn, a new reaction coordinate emerges, connecting totally different reactant and product states. Furthermore, depending on which parts of the phase space the system traverses through the saddle, the system nonuniformly experiences the switching of the reaction coordinate leading to the different product state. The universal mechanism of the cessation and the switching of the reaction coordinate at high energy regimes above the saddle is investigated.
更多查看译文
关键词
chemical kinetics,degree of freedom,hamiltonian mechanics,hamiltonian system,phase space
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络