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, /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 ⩽ 7 and to the predicted data for 8 ⩽ n ⩽ 15 since the experimental data are not available for clusters in this size range.