Fragmentation dynamics of clusters: A classical trajectory study

A new, ab initio potential energy surface for the ionic neon trimer [12] is adopted for the study the low and intermediate energy fragmentation dynamics of the Ne 3 + system. The process is initiated from three of the most stable trimer structures and a very large number of classical trajectory calculations is employed to extract various fragmentation dynamics indicators. The system is found to eject one neon atom on a very fast time scale of ∼0.15 ps, a process that leaves behind an excited ionic dimer, which in turn undergoes full dissociation on a larger time scale.