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Theoretical And Computational Studies Of Dissociative Recombination Of H3+ With Low Kinetic Energy Electrons: Time-Independent A, Samantha Santos

Electronic Theses and Dissertations

Dissociative recombination of molecular ions by collisions with electrons is a reactive collision, in which the electronic kinetic energy is transferred to the excitation of the molecule that, then, dissociates. The goals of this dissertation was (1) to improve existing approaches in theory of DR of triatomic ions in the time-independent framework developed in recent years by Kokoouline and Greene, and (2) to develop a time-dependent theoretical framework for DR treatment based on quantum defect theory. The theoretical method developed by Kokoouline and Greene is based on multichannel quantum defect theory and accounts for the major non-Born-Oppenheimer Jahn-Teller interaction between …