Nuclear Dynamics in the Molecular Convergent Close-Coupling Method
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Theoretical and computational modelling of collisions between electrons and the hydrogen molecule (H2) as well as its five isotopologues has been conducted. The technique applied is the molecular convergent close-coupling (MCCC) method, with a particular focus on the treatment of nuclear dynamics in the MCCC calculations. Cross sections for over 60,000 vibrationally-resolved transitions have been calculated within the adiabatic-nuclei approximation, and a new vibrational-electronic close-coupling method has been developed to study resonant electron-molecule collisions.