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

Ab initio configuration interaction (CI) calculations are performed to study the ground state of small neutral and singly charged silver bromide clusters 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 second order perturbational multireference CI (MRPT2) levels of approximation. We discuss more particulary the structural properties and the stability of the lowest isomers. Adiabatic and vertical ionization potentials and electron affinities have also been determined. (C) 1999 American Institute of Physics. [S0021-9606(99)30843-6].