Hamiltonian pitchfork bifurcation in transition across index-1 saddles
作者： Stephen Wiggins , Shibabrat Naik , Wenyang Lyu
DOI:
关键词: Potential energy surface 、 Reaction dynamics 、 Hamiltonian (quantum mechanics) 、 Mathematics 、 Potential energy 、 Phase space 、 Classical mechanics 、 Invariant (mathematics) 、 Pitchfork bifurcation 、 Bifurcation
摘要: We study the effect of changes in parameters a two-dimensional potential energy surface on phase space structures relevant for chemical reaction dynamics. The are representative reactions such as isomerization between two structural conformations or dissociation molecule with an intermediate. present degrees freedom quartic Hamiltonian that shows pitchfork bifurcation when varied and we derive criteria relating parameters. Next, describe - unstable periodic orbits their associated invariant manifolds, dividing surfaces systems can show trajectories undergo defined crossing barrier. Finally, quantify dynamics these by obtaining directional flux gap time distribution to illustrate dependence total coupling strength freedom.
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harvard.edu参考文章(43)
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