Computational investigation of internal excitation in nonreactive molecular collisions: Resonances in rotational excitation

R. D. Levine, B. R. Johnson, J. T. Muckerman, R. B. Bernstein

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

Resonances in subexcitation molecular collisions are demonstrated by exact numerical solution of the close-coupled integral equations for rotational excitation including closed channels in the total-angularmomentum representation. These results serve as a reference for comparing various approximate theoretical predictions. In particular, the limitations of the adiabatic approximation are exhibited. The resonance energies can be essentially predicted by a "best local" potential approximation. The resonance line shapes are fitted by a simple Breit-Wigner form.

Original languageEnglish
Pages (from-to)159-162
Number of pages4
JournalThe Journal of Chemical Physics
Volume49
Issue number1
DOIs
Publication statusPublished - Jan 1 1968

ASJC Scopus subject areas

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

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