Data on Inelastic Processes in Low-energy Calcium–Hydrogen Ionic Collisions

Abstract

Abstract The nonadiabatic nuclear dynamics for the 17 low-lying molecular states of the collisional system is studied by the probabilistic version of the hopping probability current method based on the accurate ab initio adiabatic potentials. Inelastic Ca+ + H, Ca + H+, and Ca2+ + H− collisions are treated, and partial cross sections and rate coefficients for all transitions between the considered scattering channels are calculated for excitation, de-excitation, charge exchange, ion-pair formation, and neutralization processes. The cross sections and the rate coefficients for the 272 partial inelastic processes are computed. It is found that the reaction mechanism for the partial processes with high-valued rates is due to the long-range ionic–covalent interaction, while for some processes with moderate-valued rates it is due to short-range nonadiabatic regions. It is shown that the largest rate coefficients correspond to the neutralization and also charge exchange processes from the optimal window. The largest rate coefficient exceeds the value . It is also found that some two-electron-transition charge exchange processes have rate coefficients as large as one-electron-transition processes. The processes with large and moderate values of rate coefficients are likely to be important for stellar spectra modeling.