RELAXATION OF CHLORINE ANIONS SOLVATED IN SMALL WATER CLUSTERS UPON ELECTRON PHOTODETACHMENT - THE 3 LOWEST POTENTIAL-ENERGY SURFACES OF THE NEUTRAL CL-CENTER-DOT-CENTER-DOT-CENTER-DOT-CENTER-DOT-H2O COMPLEX

The three lowest potential energy surfaces of the Cl-.... H2O cluster, relevant for the study of the dynamics following electron photodetach ment in the Cl-(H2O)(n), complexes are presented. An ab initio Fock-sp ace multireference coupled cluster scan of the three lowest Cl-.... H2 O potentials is performed and followed by a diatomics-in-molecule fit of a near-quantitative accuracy, suitable for dynamical calculations. (C) 1998 Elsevier Science B.V. All rights reserved.