A periodically forced oscillator model of van der Waals fragmentation: Classical and quantum dynamics
- 15 August 1987
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 87 (4) , 2051-2061
- https://doi.org/10.1063/1.453180
Abstract
A one degree of freedom, periodically forced Hamiltonian is shown to describe much of the relevant classical dynamics observed in earlier studies of a two degree-of-freedom model for HeI2 fragmentation. The simplicity of the forced oscillator model permits easy, but thorough numerical investigation of the quantum dynamics of fragmentation using an accurate wave packet propagation method. Quantum dynamics results are compared with classical dynamics results based on both the usual quasiclassical procedure for selecting initial conditions and on the Wigner distribution. The exact Wigner distribution as a function of time is obtained from the quantum dynamics results and very interesting, unexpected parallels with the classical phase space structure are evident.Keywords
This publication has 39 references indexed in Scilit:
- Unimolecular reactions and phase space bottlenecksThe Journal of Chemical Physics, 1986
- The classical mechanics of vibrational predissociation: A model based study of phase space structure and its influence on fragmentation ratesThe Journal of Chemical Physics, 1986
- Hemiquantal mechanics. I. Vibrational predissociation of van der Waals moleculesThe Journal of Chemical Physics, 1986
- Rotational predissociation of model atom-diatom complexesThe Journal of Physical Chemistry, 1985
- Theoretical Aspects of Photodissociation and Intramolecular DynamicsAdvances in Chemical Physics, 1985
- Quantum Theory of Molecular PhotodissociationAdvances in Chemical Physics, 1985
- Classical trajectory approach to photodissociation: The Wigner methodThe Journal of Chemical Physics, 1981
- Intramolecular Dynamics of Van Der Waals MoleculesPublished by Wiley ,1981
- Van Der Waals MoleculesAdvances in Chemical Physics, 1981
- A quasiclassical trajectory study of vibrational predissociation of van der Waals molecules: Collinear He⋅⋅⋅I2(B 3Π)The Journal of Chemical Physics, 1979