Time-dependent methods to study the dissociation dynamics of tri- and tetra-atomic clusters Original Research Article

Several time-dependent quantum and hybrid methods are applied to study the dissociation dynamics of tri- and tetra-atomic van der Waals complexes, formed by a diatomic molecule and one or two rare gas atoms. Beginning with “exact” formulations of the wave packet propagation, using grid or channel descriptions, some approximations as reduction of dimensionality or “mean field” treatments are included. Also, hybrid procedures combining either simultaneously or sequentially Classical and Quantum Mechanics, are presented and discussed.