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Variational calculation of integral cross sections for the reaction F+H2→HF+H

✍ Scribed by John Z.H. Zhang

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
427 KB
Volume
181
Category
Article
ISSN
0009-2614

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✦ Synopsis

Accurate reactive scattering calculations of integral cross sections for the reaction F+H, were carried out by utilizing the latest basis contraction techniques developed for the S matrix Kohn variational method. Convergence with respect to increasing the number of K states (K,,,,) for high J calculations were tested. Calculations using K,,,,,= 2 gave accurate integral cross sections. Computed cross sections using variational CS approximation (J&,=0) were also shown and are correct semi-quantitatively.

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