✦ LIBER ✦

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

✍ Scribed by John Z.H. Zhang; Danny L. Yeager; William H. Miller

Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 558 KB
Volume: 173
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(90)87241-i

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✦ Synopsis

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+ HT (u) AHeH+ + 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: 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 resonances of the system.

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