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State-to-state reaction probabilities using bond coordinates: application to the Li+HF(v,j) collision

AuthorsLara, Manuel; Aguado, Alfredo ; Paniagua, Miguel; Roncero, Octavio
Issue Date2000
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 113: 1781- 1794 (2000)
AbstractA time-dependent method to evaluate state-to-state reaction probabilities is presented. For demonstration purposes, the method is applied to Li+HF(v=0, 1, j=0, J=0) reactive collisions using the global potential energy surfaces (GPES). This accuracy of the method is very good when compared with recent time-independent hyperspherical calculations in this system.
Identifiersdoi: 10.1063/1.481982
issn: 0021-9606
Appears in Collections:(CFMAC-IFF) Artículos
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