Structure and dynamics of small protonated rare-gas clusters using quantum and classical methods

The possible structures of small He and Ar clusters containing H+ as ionic impurity are shown to be amenable to a detailed analysis of their structures and of the dynamical evolution by means of Ab Initio Molecular Dynamics (AIMD) treatments as well as by quantum treatments via Diffusion Monte Carlo (DMC) approaches. The two methods are briefly reviewed and their computational results are analyzed.