Charge transfer in low-energy collisions of N³⁺, C⁴⁺and N⁵⁺with H and H₂

Charge Exchange in Low-Energy H, D + C4+ Collisions with Full Account of Electron Translation

“…The calculated partial and total cross sections are in agreement with the previous low-energy calculations [19,20,26,27,29,30] and the available experimental data [27,39,40]. The recent experimental data [41] for D + C 4+ collisions at low energies are in agreement with the present partial cross section for the excitation of the C 3+ (3p) state.…”

“…The present calculations are also in agreement with the previous calculations of Ref. [19,20,26,27,29] and the available experimental data for the total cross sections of the charge exchange processes (1) and (2) [27,39,40]. As the example, the experimental data [39] for H + C 4+ collisions are shown in Fig.…”

“…The recent experimental data [41] for D + C 4+ collisions at low energies are shown by squares; it is seen that these data are in good agreement with the partial cross section for the excitation of the C 3+ (3p) state. As discussed in the literature, the cross section [41] are smaller than both experimental [27,39,40] and theoretical [19,20,26,27,29,30] total cross sections. For the detailed discussion of the theoretical results and the comparison with experiment for H, D + C 4+ collisions see Ref.…”

“…have served as a model system several times in the past (see, for example, [19,20,26]- [31]). As the application of the t/τ -matrix approach to the processes (1) and (2) does not need additional calculations, the above processes are well suited for performing of the dynamical treatment with full account of electron translation.…”

The dependence of nonadiabatic couplings on the origin of electron coordinates

“…It is of course possible to move the origin of the entire coordinate system to any point in space without changing the value of a given nonadiabatic coupling matrix element, as confirmed by explicit quantum chemical calculations. 6 However it has been pointed out 3,[7][8][9][10][11][12][13] that in contrast to potentials, nonadiabatic coupling matrix elements have different values for different electron coordinate origins. The ambiguity in the couplings seems to lead to a corresponding ambiguity in the nuclear motion, and this is often regarded as a conceptual shortcoming.…”