Impenetrable Barriers in Phase-Space
作者： S. Wiggins , L. Wiesenfeld , C. Jaffé , T. Uzer
DOI: 10.1103/PHYSREVLETT.86.5478
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摘要: 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 between reacting and nonreacting trajectories. The elusive momentum-dependent reactants products thereby characterized. A practical algorithm presented applied strongly coupled Hamiltonian.
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sci-hub.se 参考文章(23)
Eli Pollak, Philip Pechukas, Transition states, trapped trajectories, and classical bound states embedded in the continuum Journal of Chemical Physics. ,vol. 69, pp. 1218- 1226 ,(1978) , 10.1063/1.436658
Philip Pechukas, Eli Pollak, Classical transition state theory is exact if the transition state is unique Journal of Chemical Physics. ,vol. 71, pp. 2062- 2068 ,(1979) , 10.1063/1.438575
Ampawan Tiyapan, Charles Jaffé, Classical atom–diatom scattering: Self‐similarity, scaling laws, and renormalization Journal of Chemical Physics. ,vol. 99, pp. 2765- 2780 ,(1993) , 10.1063/1.465185
H. Wadi, L. Wiesenfeld, Phase space geometry of chaotic reactive scattering: Gateways, windings, and halos Physical Review E. ,vol. 55, pp. 271- 286 ,(1997) , 10.1103/PHYSREVE.55.271
William H. Miller, Semi-classical theory for non-separable systems:. Construction of “good” action-angle variables for reaction rate constants Faraday Discuss. Chem. Soc.. ,vol. 62, pp. 40- 46 ,(1977) , 10.1039/DC9776200040
Rigoberto Hernandez, William H. Miller, Semiclassical transition state theory. A new perspective Chemical Physics Letters. ,vol. 214, pp. 129- 136 ,(1993) , 10.1016/0009-2614(93)90071-8
R.S. Mackay, Flux over a saddle Physics Letters A. ,vol. 145, pp. 425- 427 ,(1990) , 10.1016/0375-9601(90)90306-9
R S MacKay, A variational principle for invariant odd-dimensional submanifolds of an energy surface for Hamiltonian systems Nonlinearity. ,vol. 4, pp. 155- 157 ,(1991) , 10.1088/0951-7715/4/1/010
Jan von Milczewski, David Farrelly, T. Uzer, 1/R DYNAMICS IN EXTERNAL FIELDS : 2D OR 3D? Physical Review Letters. ,vol. 78, pp. 2349- 2352 ,(1997) , 10.1103/PHYSREVLETT.78.2349
James C. Keck, Variational Theory of Reaction Rates Advances in Chemical Physics. pp. 85- 121 ,(2007) , 10.1002/9780470140154.CH5