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.
Original language | English (US) |
---|---|
Pages (from-to) | 269-277 |
Number of pages | 9 |
Journal | The Journal of chemical physics |
Volume | 66 |
Issue number | 1 |
DOIs | |
State | Published - 1976 |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy
- Physical and Theoretical Chemistry