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

✍ Scribed by Steven L. Mielke; Ronald S. Friedman; Donald G. Truhlar; David W. Schwenke

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
565 KB
Volume
188
Category
Article
ISSN
0009-2614

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✦ Synopsis

The state-to-state cross sections for D+ H2( u= j= I ) -HD( u' + 1, j' = 0-13 ) +H at total energy I .8 164 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 lo%, but they still differ from recent experiments by Kliner, Adelman and Zare by significantly more than the experimental error bars.

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