Ab initio calculations of structural and electronic properties of small silver bromide clusters

Ab initio configuration interaction (CI) calculations are performed to stud y the ground state of small neutral and singly charged silver bromide clust ers AgnBrp(+/-) (n,p less than or equal to 2). The results are obtained at complete active space self-consistent field and also at variational plus se cond order perturbational multireference CI (MRPT2) levels of approximation . We discuss more particulary the structural properties and the stability o f the lowest isomers. Adiabatic and vertical ionization potentials and elec tron affinities have also been determined. (C) 1999 American Institute of P hysics. [S0021-9606(99)30843-6].