An Alternative Theoretical Approach to Ionization and Dissociation in the H<sub>2</sub> Gerade System

ORAL

Abstract

We present a flexible numerically solvable two-dimensional (with one nuclear and one electronic degree of freedom) model describing the collision of an electron with the H2+ molecule (and its isotopologues) in the gerade symmetry [arXiv:2112.10820 (2021)]. Constructed in a way reminiscent of the previous quantum defect work of Jungen and Ross [Phys. Rev. A 49, 4353 (1994)], the model is comprised of three coupled two-dimensional channels in the space of s, p, d partial waves of the incoming electron. We show how this model reproduces the Born-Oppenheimer properties of the H2 molecule in the relevant range of internuclear distances and how it can be applied to describe processes such as (ro-)vibrational excitation and dissociative recombination. Previous theoretical studies of H2+ and HD+ dissociative recombination employ the frame transformation theory and the MQDT quasidiabatic theory and include various physically motivated approximations. The numerical solution of our model is suitable as an alternative theoretical tool to study these processes without said approximations. We use it to compute rovibrationally inelastic cross sections and dissociative recombination cross sections and compare with the data of previous studies.

*We acknowledge the support of the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Award No. DE-SC0010545and the support of the Czech Science Foundation (Grant No. GACR 21-12598S).

Publication: Preprint for article: Competing Ionization and Dissociation in the H2 Gerade System - [arXiv:2112.10820]

Presenters

  • David Hvizdos

    • Purdue University

Authors

  • David Hvizdos

    • Purdue University
  • Chris H Greene

    • Purdue University
    • Department of physics and astronomy, Purdue university
  • Roman Čurík

    • J. Heyrovský Institute of Physical Chemistry