Application of stochastic theory to vibration-rotation inelasticity in the He-H2 system

Stuart D. Augustin, Herschel Albert Rabitz

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15 Scopus citations

Abstract

Previous papers considered describing molecular collisions by the techniques of nonequilibrium statistical mechanics. In the present work this stochastic theory of molecular collisions is applied to vibration-rotation inelasticity in the He4-(para-H2) system. Some improvement in the theory is presented to better handle energetic effects, particularly important in the weak coupling limit. The resulting formulation leads to the solution of simultaneous Fokker-Planck and master equations for the rotational and vibrational motion, respectively. Scattering cross sections were computed for total energies from 1.3 to 4.0 eV. At this highest energy 85 vibration-rotation states of H2 are energetically accessible. Very strong near-resonant vibration-rotation inelasticity was found from the high rotational levels (J ̃ 18). The results are compared to quantum mechanical calculations and experimental measurements.

Original languageEnglish (US)
Pages (from-to)64-73
Number of pages10
JournalThe Journal of Chemical Physics
Volume67
Issue number1
DOIs
StatePublished - Jan 1 1977

All Science Journal Classification (ASJC) codes

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

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