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

We formulate a three-dimensional semiclassical model to treat three-electron escape dynamics in a strongly driven linear triatomic molecule, HeH2+. 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 so-called 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 He2+ than 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.

Automated summary

A three-dimensional semiclassical model was developed to study three-electron escape dynamics in a strongly driven linear triatomic molecule, HeH2+. The study found weak electronic correlation in frustrated triple ionization and observed that the molecule deviates from its initial linear configuration during fragmentation.