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

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

Research output: Contribution to journalArticle

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

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Angular momentum
angular momentum
Scattering
scattering
molecular ions
Ions
matrices
excitation
energy

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

3D quantum scattering calculations of the reaction He + H+ 2 → HeH+ + H for total angular momentum J = 0. / Zhang, John; Yeager, Danny L.; Miller, William H.

In: Chemical Physics Letters, Vol. 173, No. 5-6, 19.10.1990, p. 489-495.

Research output: Contribution to journalArticle

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