3D quantum scattering calculations of the reaction He + H+2 → HeH+ + H for total angular momentum J = 0

John Z.H. Zhang, Danny L. Yeager, William H. Miller

Research output: Contribution to journalArticlepeer-review

Abstract

An improved version of the S-matrix Kohn variational method has been applied to calculating 3D quantum reaction probabilities of the ion-molecular reaction He + H+2 (v → HeH+ + H. The calculation is carried out for total angular momentum J = 0 and employs the DIM potential surface of Kuntz. Our results show that vibrational excitation of H+2 enhances the reaction probabilities and are in qualitative agreement with early experimental results. The calculated reaction probabilities are found to be highly oscillatory as a function of scattering energy and are associated with resonance of the system.

Original languageEnglish (US)
Pages (from-to)489-495
Number of pages7
JournalChemical Physics Letters
Volume173
Issue number5-6
DOIs
StatePublished - Oct 19 1990

ASJC Scopus subject areas

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

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