On the origin of the dynamical differences between the Tang and Dalgarno-Henry-Roberts potentials for rigid rotor H2-H collisions

Seth Margolies, Bruce A. Garetz, N. Sathyamurthy

Research output: Contribution to journalArticlepeer-review

Abstract

We compare our quasiclassical trajectory results for the J=0 →2 rotational excitation in rigid rotor H2-H collisions with the close-coupling results of Choi and Tang on two different potentials. We trace the dynamical differences between the two potentials to the differences in the ellipticity of the repulsive potential-energy contours. We also discuss the application of our results to rotational excitation on the most accurate Siegbahn-Liu-Truhlar-Horowitz surface for the collision.

Original languageEnglish (US)
Pages (from-to)2736-2741
Number of pages6
JournalThe Journal of Chemical Physics
Volume79
Issue number6
DOIs
StatePublished - 1983

ASJC Scopus subject areas

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

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