High-energy state-to-state quantum dynamics for D+H2 (v=j=1) → HD (v′=1, j′) + H

Steven L. Mielke, Ronald S. Friedman, Donald G. Truhlar, David W. Schwenke

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The state-to-state cross sections for D+H2(v=j=1) → HD(v′→ 1, j′=0-13)+H at total energy 1.8164 eV have been calculated by accurate quantum dynamics, using larger basis sets and more stringent convergence criteria than in previous work. The cross sections differ from previous calculations by up to 10%, but they still differ from recent experiments by Kliner, Adelman and Zare by significantly more than the experimental error bars.

Original languageEnglish (US)
Pages (from-to)359-367
Number of pages9
JournalChemical Physics Letters
Issue number3-4
StatePublished - Jan 10 1992

Bibliographical note

Funding Information:
We thank the authors of ref. [3] for preprints of their work and Dahv Kliner for helpful discussions of the manuscript and the experimental error bars. This work was supported in part by the National Science Foundation and the Cray Research University Grant Program.


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