Stochastic theory of molecular collisions. II. Application to atom-vibrotor collisions

Stuart D. Augustin, Herschel Rabitz

Research output: Contribution to journalArticle

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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 languageEnglish (US)
Pages (from-to)269-277
Number of pages9
JournalThe Journal of chemical physics
Volume66
Issue number1
DOIs
StatePublished - 1976

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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