CHAPTER 4: Statisticodynamical and Multiscale Modeling of Cluster Dissociation

Dissociation is a fundamental process from which many properties of atomic and molecular clusters are inferred with the help of theory. However, observation takes place long after production and accounting for these many timescales requires specific computational strategies. This chapter presents and discusses some basic principles of time multiscale modeling applied to cluster dissociation, in which the explicit molecular dynamics is followed during the early stages, before kinetic descriptions based on rate theories can be applied over macroscopically long times. Applications to the dissociation of several atomic clusters are presented, as well as some extensions in action vibrational spectroscopy.