Single Charge Transfer Cross Sections of He^{+}–H_{2}O Collisions

In this study, employing the time-dependent density functional theory nonadiabatically coupling with the molecular dynamics, the single charge transfer (SCT) cross sections are calculated for He+–H2O collisions over an energy range of 1.33–1800 keV. The simulations utilize an inverse collision framework. The SCT cross section exhibits a strong dependence on the collision direction. Furthermore, the contributions of different collision directions to the cross section differ significantly between the low-energy and high-energy regions. The dataset contains only one CSV file, which corresponds to the data in Table 1 of the article. It includes the SCT cross sections under three collision directions as well as their corresponding average values.