Dissociative recombination of BeH^+

TL;DR

This paper calculates the dissociative recombination cross section of BeH^+ using quantum dynamics, revealing energy-dependent features and the influence of electronic couplings, with implications for understanding molecular ion processes.

Contribution

It introduces a detailed quantum mechanical calculation of BeH^+ recombination, incorporating ab initio potentials and couplings, and provides analytical expressions for low-energy cross sections.

Findings

Significant cross section at low energies

High-energy peak around 1 eV

Oscillations due to electronic couplings

Abstract

The cross section for dissociative recombination of BeH^+ is calculated by solution of the time-dependent Schrodinger equation in the local complex potential approximation. The effects of couplings between resonant states and the Rydberg states converging to the ground state of the ion are studied. The relevant potentials, couplings and autoionization widths are extracted using ab initio electron scattering and structure calculations, followed by a diabatization procedure. The calculated cross sections shows a sizable magnitude at low energy, followed by a high-energy peak centered around 1 eV. The electronic couplings between the neutral states induce oscillations in the cross section. Analytical forms for the cross sections at low collision energies are given.