Abstract

The resonant states of HeH are computed by combining structure calculations at a full configuration interaction level with electron scattering calculations carried out using the Complex-Kohn variational method. We obtain the potential energy curves, autoionization widths, as well as non-adiabatic couplings among the resonant states. Using the non-adiabatic couplings, the adiabatic to diabatic transformation matrix can be obtained. A strict diabatization of the resonant states will be used to study various scattering processes where the resonant states are involved. These processes involve high energy dissociative recombination (DR) and ion-pair formation (RIP), resonant and direct dissociative excitation (DE), penning ionization (PI) as well as mutual neutralization (MN).

Highlights

  • When an electron collides with a molecular ion, such as HeH+, a number of processes can occur

  • We report some preliminary results from the studies of direct and resonant dissociative excitation processes

  • Inelastic electron scattering causes an excitation of the HeH+ ion to one of the lowest two excited states (a3 + or A1 +), followed by a direct dissociation to He+ + H

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Summary

Introduction

When an electron collides with a molecular ion, such as HeH+, a number of processes can occur. HeH+(vi, Ji ) + e− → HeH+(vi , Ji ) + e−, where only the momentum of the electron has changed. Electron-impact excitation to a dissociative electronic state can result in direct dissociative excitation (direct DE). In this case, the incident electron causes a transition to a dissociative excited state of the target ion with enough internal energy to cause fragmentation [1,2,3]. EPJ Web of Conferences to the ion. Electron capture to these Rydberg states via non-adiabatic interactions drives the dissociative recombination (DR) process at low collision energies [4,5,6,7]

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