NeH+ dissociative recombination (1s). This series converges to the second ionization limit limit Ne + + H (1s). We will report resonances found in the 10-30 eV energy range by electron scattering calculations using the Complex Kohn Variational method. The resonances, electronic couplings between resonances and the autoionization widths will be used in the time-dependent wave packet calculation describing the dissociation dynamics. The calculated cross sections and dissociation rates will be compared to the experimental ones measured by Mitchell et al.
IntroductionThe dissociative recombination (DR) of the rare gas hydride ions is very interesting both from a fundamental and from an applied point of view. HeH + and NeH + do not have curve crossings [1,3] between the ion ground state and a repulsive neutral state that would lead to a strong direct recombination process (see figure 1). While it was originally believed that HeH + would exhibit a very small recombination rate [4], experimental studies using the merged beams method both in a single pass [5,6] and multi-pass mode [7,8] have revealed that in fact at low collision energies the measured recombination cross section is quite large and has a highly resonant structure. This observation has received support from theoretical studies [9,12]. In addition to low energy cross sections, HeH+ also exhibits a high energy peak (centered at 20 eV) that is well reproduced by theoretical calculations [13,14]. Recently, the cross section for the DR of NeH + was measured at the heavy-ion storage ring ASTRID by Mitchell et al. [15]. From an applied point of view, the interest of this process resides in its role in the plasma chemistry of future thermonuclear reactor divertors, as it is explained in [15].We shall present here the first theoretical evaluation of the DR cross section in the electron energy region of 5-25 eV, considering the first three doubly excited states of NeH as dissociative states. Details of the calculation are presented in the next section.In the last section, we present a comparison between our preliminary theoretical calculations and the experimental data and discuss these results.