Laboratoire Collisions Agrégats Réactivité - UMR5589

Quantum systems such as molecular aggregates require dedicated approaches for their investigation.
Extracting from personal experience, the requirements and improvements needed to build theoretical methods for the long-sought goal of studying QM molecular aggregates will be described.
Some emphasis will be placed on efficiency and flexibility in handling different systems. Approaches for extracting both statical and dynamical information will be touched upon.
Hinging on the discussed methods, a few selected applications of relevance in low temperature, gas phase, and atmospheric chemistry or physics will be discussed in the second part of the talk.