Water-molecule fragmentation induced by charge exchange in slow collisions with He+ and He2+ ions in the keV-energy region

Charge exchange and fragmentation in the collision systems He+H2O and He +H2O are theoretically investigated at projectile energies of a few keV. The calculations are based on the electron nuclear dynamics END method which solves the time-dependent Schrödinger equation. Total and differential cross sections for charge exchange are evaluated by averaging over 10 orientations of the H2O molecule. Summed total electron capture cross sections are found to be in good agreement with available experimental data. Projectile scattering was studied in the full angular range with respect to the incident beam direction. The theory provides a description of the fragmentation mechanisms such as Coulomb explosion and binary collision processes. For impact parameters below 3.5 a.u., we find that single and double electron capture occurs, resulting always in full fragmentation of H2O independent of the target orientation for He ions. Hydrogen and oxygen fragments and its respective ions, are studied as a function of emission angle and energy. In the binary collisions regime the theoretical results are found to be in excellent agreement with previous experimental data. In the Coulomb explosion regime the theoretical data are found to peak at specific angles including 90°, which is consistent with the experiment.