Electron excitation dynamics, localization and solvation in small clusters

Abstract

The energetics and dynamics of electronically excited rare-gas clusters and modes of electron attachment and solvation in alkali halide clusters and in water clusters are investigated by classical and quantum path-integral molecular dynamics techniques. The authors demonstrate the versatility and degree of spatial and temporal detail afforded by computer simulations and the new avenues which such studies open for studies of physical and chemical phenomena, not accessible by other modes of investigation.