I will describe ab initio potential energy surfaces for the water and HCl clusters in general and then focus on the trimer clusters. Anharmoinic vibrational analyses of these clusters based on quantum Diffusion Monte Carlo and local monomer quantum calculations will be presented. The predissociation dynamics, i.e., the time-dependent relaxation dynamics to the final state propoerties of the fragments of these clusters will be discussed and comparisons with recent detailed experiments of Reisler and co-workers will be given.

Predissociation spectroscopy and dynamics of (H2O)3 and (HCl)?3 and comparison with experiment

248th National Meeting (2014)

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