Towards Complete and Realistic Studies for Rare-Gas Ionic Clusters, the Ar+3 Example

Florent X. Gadéa (1) , Mohand Amarouche

1 LPQ - Laboratoire de Physique Quantique

The approach we have developped for the ab initio simulation of rare-gas ionic clusters is reviewed and applied to Ar+3. It is based on a DIM (Diatomic In Molecules) modelling for the electronic Hamiltonian and transition dipole moments, on approximate estimations for the absorption spectrum and a HWD (Hemiquantal dynamics with the Whole DIM basis) treatment of the fragmentation dynamics. The theoretical study is devoted to three basic aspects: the structure of the ions, their absorption spectrum and their fragmentation dynamics. These aspects correspond respectively to equilibrium, short time and long time dynamics. The results for Ar+3 are reviewed (structure, visible spectrum, photofragmentation dynamics, kinetic energy distribution of photofragments) and in addition new ones for the UV absorption spectrum are presented and discussed.

Domaines: Articles anciens

Florent X. Gadéa, Mohand Amarouche. Towards Complete and Realistic Studies for Rare-Gas Ionic Clusters, the Ar+3 Example. Journal de Physique II, 1995, 5 (12), pp.1767-1776. ⟨10.1051/jp2:1995212⟩. ⟨jpa-00248268⟩