

This work is a basic study on different molecular systems in the condensed matter.
This study is carried out by means of quantum mechanical calculations that take into account the different interactions among atoms, for example He, Ar and Ne triatomic molecules weakly linked. Through molecular dynamics calculations, it is studied the behavior of some of these systems in a few picoseconds after an orbital excitement of these molecules' electrons.
The models and calculations developed in this work, have allowed explaining the behavior of this type of molecular system, in experiments recently developed at international level, which constitutes one of the main merits of this work.
The results of this research have been published in very prestigious magazines, such as Physical Review Letters, Journal of Chemical Physics, Chemical Physics Letters and Computer Physics Comunications.