Dissociative recombination of HCN+ and HNC+, a simplified approach
POSTER
Abstract
We present the study of the Dissociative Recombination (DR) of the HCN$^+$ and HNC$^+$ molecular ions. Our calculations are based on a simplified theoretical model that captures the essence of indirectly driven DR process. We use normal modes to represent the vibrational states and the non-adiabatic couplings between them are obtained simply by computing the scattering matrix elements in this vibrational space. Electronic structure calculations, as well as scattering calculations, were carried out entirely from ab initio principles and we compare our results to available data on the literature.
Authors
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Erin McBroom
Drake Univ
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Nicolas Douguet
Department of Physics and Astronomy, Drake University, Des Moines, Iowa, 50311, USA, Drake Univ, Drake University
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Samantha Fonseca dos Santos
Drake University, Drake Univ
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Asa Larson
Stockholm University
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A. E. Orel
UCDavis, UC Davis