Theory of Reactive Scattering. II. Application of the τ Operator Formalism to a Linear Model for Three Body Rearrangements
- 15 May 1972
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 56 (10) , 4840-4847
- https://doi.org/10.1063/1.1676959
Abstract
Coupled operator equations for the rearrangement channel operators ταα and τβα are employed in considering a simple collinear model for three body rearrangement collisions. The model is sufficiently general to permit dissociation of the bound atoms and in a certain limit the model becomes identical with that considered by Hulburt and Hirschfelder. We have been able to obtain analytical solutions for the coupled equations which may be used to calculate reactive and nonreactive scattering probabilities for both, when dissociation can occur and for the model of Hulburt and Hirschfelder. The numerical results for the Hulburt and Hirschfelder nondissociative model agree exactly with the results of Tang, Kleinman, and Karplus, and additional new numerical results are given for the more general model also. The present coupled equations may be generalized to three dimensional reactive collisions in a straightforward fashion.Keywords
This publication has 16 references indexed in Scilit:
- Comment on the Quantum Mechanical Collinear Model of Three Body Rearrangement ScatteringThe Journal of Chemical Physics, 1972
- Comparison between Quantum Mechanical and Classical Treatment of a Hard-Sphere Model for Colinear Three-Body Rearrangement CollisionsThe Journal of Chemical Physics, 1971
- Quantum Mechanical Model of Three-Body Rearrangement Scattering. II. Calculations for a Resonance EnergyThe Journal of Chemical Physics, 1970
- Quantum Mechanical Model of Three-Body Rearrangement Scattering. I. Formal Solution of the Helmholtz Equation on a SquareThe Journal of Chemical Physics, 1970
- Permeability for the Reaction H + H2 = H2 + H Treated as a Linear Encounter Using Variational TechniquesThe Journal of Chemical Physics, 1969
- Theory of Reactive Scattering. I. Homogeneous Integral Solution Formalism for the Rearrangement τ-Operator Integral EquationThe Journal of Chemical Physics, 1969
- Quantum Solution of Collinear Reactive Systems: H+Cl2→HCl+ClThe Journal of Chemical Physics, 1969
- Solvable Quantum-Mechanical Model of Three-Body Rearrangement ScatteringThe Journal of Chemical Physics, 1969
- Coupled Equations and the Minimum Principle for Collisions of an Atom and a Diatomic Molecule, Including RearrangementsThe Journal of Chemical Physics, 1969
- Analytical Mechanics of Chemical Reactions. III. Natural Collision CoordinatesThe Journal of Chemical Physics, 1968