Dissociative attachment to ClCN and BrCN.
We present calculated dissociative attachment cross sections for ClCN and BrCN in the 0-20 eV energy range. In this energy region, both Cl(-)Br(-) and CN(-) fragments are possible and are produced via dissociation along repulsive resonance curves. Electron scattering calculations, using the complex Kohn variational method and molecular structure calculations, were used to determine the three-dimensional surfaces and resonance parameters. The nuclear dynamics was studied in one, two, and three dimensions using time-dependent wave packet methods, employing the multiconfiguration time-dependent Hartree method for multiple dimensions. The calculated cross sections are reported and compared to the available experiments. Couplings between resonance states will also be examined and discussed.
Royal
J
J
Department of Applied Science, University of California, Davis, Davis, California 95616, USA. jrroyal@ucdavis.edu
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