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Quantum mechanical treatment of the collinear H+ + H2 system. The uncoupled system
Authors:ZH Top  M Baer
Institution:Department of Applied Optics, Soreq Nuclear Research Center, Yavne, Israel;Department of Chemical Physics, The Weizmann Institute of Science, Rehovot, Israel
Abstract:A fully converged close coupling study is performed of the collinear (H+ + H2) system on the lower potential energy surface. The surface is derived by the DIMZO (diatomic in molecules-zero overlap) method. Transition probabilities for the reactions: H+ + H2 (ν = 0, 1) → H2 (ν′) + H+; ν′ = 0,..., 7 are given for a number of total energies in the range from 1 eV to 3 eV. It is found that for this energy region the transition ν = 0 → ν′ = 0 is the most preferential. This fact leads us to believe that addition of the upper surface will have a minor effect on the calculated probabilities of transitions from ν = 0 in the above-mentioned energy range.
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