Ab initio calculations elucidating the complicated dissociation dynamics of dissociative electron attachment to the water molecule, when combined with COLTRIMS experimental results

Abstract

We describe calculations on fragment angular distributions that complement the COLTRIMS experimental results of A. Belkacem et al. at LBNL on the subject of the coupled electronic and nuclear dynamics of dissociative electron attachment to the water molecule. Angular information from both theory and experiment may be combined to give a revealing view of the polyatomic dynamics by which the anion breaks up into H2 + O−, OH + H−, and the three body channels.