Abstract
We present accurate quantum mechanical differential cross sections for the H + D2 reaction. Results are given for two potential energy surfaces and three initial states at relative translational energies of Erel = 0.525-0.562 eV. Comparisons are made to quasiclassical trajectory simulations and experiments. The average final rotational quantum number is 12% less than the quasiclassical one, and the quantal and classical differential cross sections have qualitatively different shapes. The theoretical differential cross sections show less forward scattering than experiment.
Original language | English (US) |
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Pages (from-to) | 1053-1057 |
Number of pages | 5 |
Journal | Journal of Physical Chemistry |
Volume | 98 |
Issue number | 4 |
DOIs | |
State | Published - Jan 1 1994 |