Continuum-distorted-wave eikonal-initial-state description of the electron-impact ionization of H2O and aligned H2 molecules

OTRANTO, SEBASTIAN; ACEBAL, EMILIANO

Virtual

Simposio; International Symposium on Correlation, Polarization and Ionization in Atomic and Molecular Collisions; 2021

In the last few years, reaction microscopes have allowed for an unprecedented level of detail regarding the exploration of electron-impact ionization of atoms and molecules at the fully differential level. In this context, molecular targets, as simple as H2, still provide a challenging testing ground for the state-of-the-art theoretical models, either based on numerically intensive or perturbative treatments. In this work, we present the fully differential cross sections (FDCS) obtained by implementing the continuum-distorted-wave (CDW) eikonal-initial-state (EIS) model, of ample use in the ion-atom context. Two molecular target systems are explicitly considered: non-oriented H2O and aligned H2. For the former, the final channel is described by using a single center description of the H2O+ ion. For the latter, the multicenter nature of the molecular ion is explicitly taken into account. In both cases results obtained are contrasted against recent experimental data and reported theoretical calculations using the time-dependent close-coupling method and the distorted wave Born approximaton. Present results suggest that, as in the ion-impact case, the CDW-EIS model is capable of providing a good description of the experimental FDCS and allows inferring valuable information on the physical mechanisms ruling the collision process.