Quantum mechanical coupled-channel collision-induced dissociation calculations with hyperspherical coordinates |
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| Authors: | Jack A Kaye Aron Kuppermann |
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| Institution: | Department of Chemistry, Florida Atlantic University, Boca Raton, Florida 33431, USA;Department of Chemistry, University of Virginia, Charlottesville, Virginia 22901, USA;Synchrotron Radiation Center, University of Wisconsin—Madison, Physical Sciences Laboratory, Stoughton, Wisconsin 53589, USA |
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| Abstract: | A time-independent coupled-channel method, using hyperspherical coordinates, has been developed for calculating quantum mechanical collision-induced dissociation probabilities for collinear atom-diatom systems in which the exchange reaction can also occur. The results for a model potential energy surface are compared with quasi-classical trajectory calculations and discussed. |
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