A three-body classical trajectory Monte Carlo method is used to investigate state-specific electron capture from H2O by highly charged ions. The radial and momentum distributions of the target electron are modeled using a one-center molecular orbital wave function. Total single-electron capture cross sections, as well as cross sections for capture into specific nl-states, are calculated for the highly charged ion projectiles, C6+, N7+, Ne10+, and Ar18+, at relative collision energies ranging from 0.01 keV/amu to 50 keV/amu. Comparisons of relative n-state capture populations and total single-electron capture cross sections are made with experimental results. The results show a marked improvement in the prediction of relative n-states populated, with the overall single-electron single capture cross sections being slightly low compared with experimental values. Overall, this method of calculating nl-states of the captured electron appears to be a promising approach for those wishing to model X-ray and Extreme Ultraviolet (EUV) emissions from comets bombarded by solar wind ions, and fusion researchers trying to determine the effects of impurities in Tokomak reactors.
Perez et al. (Fri,) studied this question.