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

R. D. Levine, B. R. Johnson, James Muckerman, R. B. Bernstein

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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
JournalJournal of Chemical Physics
Volume49
Issue number1
Publication statusPublished - 1968

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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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