CDW-EIS description of the electron- and positron-impact ionization of H2O at low impact energies

ACEBAL, EMILIANO; OTRANTO, SEBASTIAN

Budapest

Conferencia; International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS 2018); 2018

In this work, Fully Differential Cross Sections (FDCS) for electron- and positron- impact of gaseous H2O at an impact energy of 81 eV are calculated within the framework of the continuum-distorted-wave eikonal-initial-state (CDW-EIS) model. Electron-impact results are benchmarked against recent experimental data obtained by Ren and co-workers by means of a reaction microscope, which correspond to detection of electrons emitted from either the 1b1 or the 3a1 valence orbitals. In order to obtain FDCS, the calculation of the transition amplitude at fixed molecular orientations has been developed by direct 6D numerical integration over the coordinates using an adaptive Monte Carlo scheme. A proper average procedure was performed over cross sections calculated for different molecular orientations to mimic the experimental conditions.