Triple ionization and "frustrated" triple ionization in triatomic molecules driven by intense laser fields

Abstract

We formulate a three-dimensional semi-classical model to treat three-electron escape dynamics in a strongly-driven linear triatomic molecule, HeH + 2 . Our model includes the Coulomb singularities. Hence, to avoid unphysical autoionization, we employ two criteria to switch off the Coulomb repulsive force between two bound electrons and switch it on when the motion of one electron is mostly determined by the laser field. We investigate triple and "frustrated" triple ionization. In the latter process two electrons escape while one electron remains bound in a Rydberg state. We find that two pathways prevail in "frustrated" triple ionization, as in "frustrated" double ionization. We also find that the electron that remains in a Rydberg state is more likely to be attached to He 2+ compared to H + . Our results indicate that in triple and "frustrated" triple ionization electronic correlation is weak. Moreover, we compute the sum of the kinetic energies as well as the angular patterns of the final ion fragments in triple and "frustrated" triple ionization. These patterns suggest that the fragmenting molecule deviates from its initial linear configuration.

Three-electron correlations in strong laser field ionization: Spin induced effects

“…A full quantum-mechanical simulations are, at best, possible for two electrons thanks to the efforts of Ken Taylor's group in Belfast [42,43]. Furthermore, models for three electrons are at their infancy being limited to either purely classical Monte Carlo methods [44][45][46][47][48][49] or to time-dependent orbital approaches which, while successful for description of HHG [50], can hardly provide detailed information on the ionization dynamics and momenta distributions.…”