A domain decomposition method for the polarizable continuum model based on the solvent excluded surface

In this article, we introduce a new Polarizable Continuum Model (PCM) based on the Solvent Excluded Surface (SES). The model incorporates an intermediate switching region for the solute-solvent dielectric boundary to enhance a smooth electrostatic contribution to the solvation energy. The Schwarz domain decomposition method is applied to solve this model, the crucial part of which is the discretization of each local equation defined on a subdomain (consisting of a ball) based on the spherical harmonics in the angular direction and the Legendre polynomials in the radial direction. A series of numerical tests are presented to show the performance of the proposed method for this model.