ELECTRON CORRELATION AND SOLVATION EFFECTS .1. BASIC FORMULATION AND PRELIMINARY ATTEMPT TO INCLUDE THE ELECTRON CORRELATION IN THE QUANTUM-MECHANICAL POLARIZABLE CONTINUUM MODEL SO AS TO STUDY SOLVATION PHENOMENA

In this paper we present a formulation of the Polarizable Continuum Model including the consideration of the electron correlation. Three levels of complexity in the method are considered, the first two introducing a partial decoupling of solvation and correlation effects. Third order calculations show a clear influence of electron correlation on the solvation energy and parallel influence of solvent polarization effects on the correlation energy. The analysis has been performed over a representative set of solutes, also taking into consideration the most significant observables.