Stochastic theory of molecular collisions. II. Application to atom–vibrotor collisions
- 1 January 1977
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 66 (1) , 269-277
- https://doi.org/10.1063/1.433619
Abstract
In this work stochastic theory is applied to the treatment of atom–vibrotor collisions. This is an extension of a previous paper which described molecular collisions by a Pauli master equation or a Fokker–Planck equation. In this framework an energy conserving classical path model is explored, and methods for solving the equations numerically are discussed. The coefficients of the Fokker–Planck equation are shown to be expressible as simple functions of the interaction potential. Estimates of the computational labor are also discussed. Finally as a followup on the initial work, numerical solutions of the master equation for the collinear vibrational excitation problem of Secrest and Johnson are presented in an Appendix.Keywords
This publication has 12 references indexed in Scilit:
- Effective Hamiltonian methods for the semiclassical treatment of molecular collisionsThe Journal of Chemical Physics, 1976
- Stochastic theory of molecular collisionsThe Journal of Chemical Physics, 1976
- A multistate semiclassical orbital treatment of heavy-particle collisions with application to HH2 rotational transitionsChemical Physics Letters, 1975
- Tests of semiclassical treatments of vibrational-translational energy transfer collinear collisions of helium with hydrogen moleculesChemical Physics, 1975
- Quantum mechanical close coupling approach to molecular collisions. jz -conserving coupled states approximationThe Journal of Chemical Physics, 1974
- Space-fixed vs body-fixed axes in atom-diatomic molecule scattering. Sudden approximationsThe Journal of Chemical Physics, 1974
- Classical‐Limit Quantum Mechanics and the Theory of Molecular CollisionsPublished by Wiley ,1974
- Collinear collision of an atom and a Morse oscillator: exact quantum mechanical resultsJournal of Physics B: Atomic and Molecular Physics, 1973
- Exact Quantum-Mechanical Calculation of a Collinear Collision of a Particle with a Harmonic OscillatorThe Journal of Chemical Physics, 1966
- The Factorization MethodReviews of Modern Physics, 1951