State-Selective Single-Electron Capture from H2O at Low Collision Energies Using the Classical Trajectory Monte Carlo Method

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.