J. Phys. II France
Volume 5, Numéro 12, December 1995
Page(s) 1767 - 1776
DOI: 10.1051/jp2:1995212
J. Phys. II France 5 (1995) 1767-1776

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

Florent Xavier Gadea and Mohand Amarouche

Laboratoire de Physique Quantique, IRSAMC, Université Paul Sabatier, 118 rte de Narbonne 31062 Toulouse Cedex, France

(Received 21 April 1995, accepted in final form 14 September 1995)

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.

© Les Editions de Physique 1995