Theoretical study of the I+ + I- mutual neutralization reaction
Résumé
We have computed the cross sections of the mutual neutralization reaction between I+ and I- for a collision energy varying from 0.001 eV to 50 eV. These cross sections were obtained using the adiabatic potential energy curves of the I2 system computed with a direct relativistic Multi-Reference Configuration Interaction method and a semi-classical approach (i.e. Landau Zener Surface Hopping). We report the cross sections towards the following neutral sates : I(2P3/2)+I(2P3/2), I(2P3/2) + I(2P1/2), I(2P1/2) + I(2P1/2) and I(5p46s) + I(2P3/2). We also discuss the cross sections towards the two following excited ionic states : I- (1S0) + I+ (3P0) and I- (1S0) + I+ (3D2). The results of these calculations are in accordance with recent experimental measurements conducted in the double ion ring DESIREE in Stockholm. These results can be used to model iodine plasma kinetics and thus to improve our understanding of the latter.
Domaines
Chimie théorique et/ou physique
Origine : Fichiers produits par l'(les) auteur(s)