title: Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective.
abstract: It was recently shown that the exact potential driving the electron's dynamics in enhanced ionization of H2+can have large contributions arising from dynamic electron-nuclear correlation, going beyond what any Coulombic-based model can provide. This potential is defined via the exact factorization of the molecular wavefunction that allows the construction of a Schrödinger equation for the electronic system, in which the potential contains exactly the effect of coupling to the nuclear system and any external fields. Here we study enhanced ionization in isotopologues of H2+in order to investigate the nuclear-mass-dependence of these terms for this process. We decompose the exact potential into components that naturally arise from the conditional wavefunction, and also into components arising from the marginal electronic wavefunction, and compare the performance of propagation on these different components as well as approximate potentials based on the quasi-static or Hartree approximation with the exact propagation. A quasiclassical analysis is presented to help analyse the structure of different non-Coulombic components of the potential driving the ionizing electron.
authors.affiliation: Nano-Bio Spectroscopy Group and ETSF, Universidad del País Vasco, CFM CSIC-UPV/EHU, 20018 San Sebastián, Spain. elham.etn@gmail.com aliabedik@gmail.com.
authors.forename: Elham
authors.identifier: http://orcid.org/0000-0002-0254-9713
authors.initials: E
authors.lastname: Khosravi
authors.affiliation: Nano-Bio Spectroscopy Group and ETSF, Universidad del País Vasco, CFM CSIC-UPV/EHU, 20018 San Sebastián, Spain. elham.etn@gmail.com aliabedik@gmail.com.
authors.forename: Ali
authors.initials: A
authors.lastname: Abedi
authors.affiliation: Max Planck Institute for the Structure and Dynamics of Matter, Luruper Chaussee 149, 22761 Hamburg, Germany. angel.rubio@mpsd.mpg.de and Nano-Bio Spectroscopy Group and ETSF, Universidad del País Vasco, CFM CSIC-UPV/EHU, 20018 San Sebastián, Spain. elham.etn@gmail.com aliabedik@gmail.com.
authors.forename: Angel
authors.initials: A
authors.lastname: Rubio
authors.affiliation: Department of Physics and Astronomy, Hunter College and the Graduate Center of the City University of New York, 695 Park Avenue, New York, New York 10065, USA. nmaitra@hunter.cuny.edu.
authors.forename: Neepa T
authors.initials: NT
authors.lastname: Maitra