Stochastic theory of molecular collisions. II. Application to atom--vibrotor collisions. [Energy-conserving classical path model, Fokker-Planck equation coefficients]
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. (AIP)
- Research Organization:
- Department of Chemistry, Princeton University, Princeton, New Jersey 08540
- OSTI ID:
- 7240170
- Journal Information:
- J. Chem. Phys.; (United States), Vol. 66:1
- Country of Publication:
- United States
- Language:
- English
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