Knowledge Bank

I will discuss our group's ongoing efforts to elucidate the structure and dynamics of hydrated-electron clusters, $(H2O)n-$, using {\em ab initio/} quantum chemistry. Theoretical techniques include first-principles molecular dynamics and Monte Carlo simulations, as well as detailed analysis of the wave function associated with the ``excess'' electron. We apply these methods to predict and interpret both vibrational and photoelectron spectra of $(H2O)n-$.