Na(H2O) dynamics following electron detachment from Na−(H2O) anion

The dynamics of Na(H2O) following electron detachment from Na−(H2O) was investigated using ab initio direct MD method. In 96% of trajectories, the reorientations of water occurred on the ∼120 fs time scale, and observed as a peak at 120 fs in the calculated photodetachment-photoionization spectra using 4.3-5.3 eV photons.