Exact quantum mechanical reaction probabilities for the collinear H + H2 reaction on a porter-karplus potential energy surface |
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Authors: | James W. Duff Donald G. Truhlar |
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Affiliation: | Chemical Dynamic Laboratory, Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, USA |
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Abstract: | Exact quantum mechanical calculation of the reaction probability for the collinear H + H2 reaction on a Porter-Karplus potential energy surface are carried out by the finite-difference boundary value method at 6 energes in the threshold region and compared to close coupling, distorted wave, classical S matrix, transition state theory, and vibrational adiabatic calculations. |
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