Photodetachment spectra of Cl-(H2O)(n) clusters. Predictions and comparisons

Using molecular dynamics computer simulations we calculated the photodetachment spectra of Cl-(H2O)(n) (n = 2, 3, ...15) clusters. The dependence of the spectra on the variations in the temperature of the clusters and the potential parameters used to describe the interaction of the post-ejected ion with the water was investigated. We also studied the dependence of the spectra on the type of the potential used in the simulations: pair-wise versus many-body. The calculated data are compared to the experimental data for n less than or equal to 7 and to the predicted data for 8 less than or equal to n less than or equal to 15 since the experimental data are not available for clusters in this size range.