Search

We report R-matrix calculations of low-lying Rydberg states of the hydrohelium molecular ion HeH+ corresponding to ¹Δ and ³Δ symmetry. The calculations include states with principal quantum numbers 3 ≤ n ≤ 10. For n = 3 and n = 4 the present results are compared with those of Green et al. and Loreau et al. [ABSTRACT FROM AUTHOR]

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). [ABSTRACT FROM AUTHOR]

The dissociative recombination of HeH+ is studied using multi-channel quantum defect theory. We investigated how the partial waves of incident electrons affect the DR cross section. The DR cross section depends on the position of the center of partial wave expansion for the adiabatic S-matrix of electron scattering. When the Rydberg states correlate with the Rydberg states of the hydrogen atom at large internuclear distances, the center should be on the hydrogen atom for a better convergence of the expansion. [ABSTRACT FROM AUTHOR]