Extended WKB method, resonances and supersymmetric radial barriers

Semiclassical approximations are implemented in the calculation of position and width of low energy resonances for radial barriers. The numerical integrations are delimited by t/T<<8, with t the period of a classical particle in the barrier trap and T the resonance lifetime. These energies are used in the construction of `haired' short range potentials as the supersymmetric partners of a given radial barrier. The new potentials could be useful in the study of the transient phenomena which give rise to the Moshinsky's diffraction in time.Comment: 12 pages, 4 figures, 3 table

A NEW PERSPECTIVE ON ISOMERIZATION DYNAMICS ILLUSTRATED BY HCN→HNCHCN \rightarrow HNC

Author Institution: Department of Chemistry, Emory UniversityWe present a number of delocalized, ``isomerization”, wavefunctons for HCN/HNC based on exact three degree of freedom calculations using a high quality global ab initio potential energy surface [Bowman, J.M.; Gazdy, B.; Bentley, J.A.; Lee, T.J.; Dateo, C.E.J. Chem. Phys. 1993, 99, 308.]. We suggest new notation for ``assigning” these states. We will also discuss the role of delocalized states in isomerization dynamics, and illustrates the ideas by considering isomerization in HCN. We analyze results from an earlier study, where HCN was treated as a semi-rigid bender, and isomerization was induced by collision with an Ar atom, and suggest a new theory to obtain the cumulative isomerization reaction probability