In the present work, eq. 2 is solved for densities ρ sol (r) from Hartree-Fock (HF) or density-functional theory (DFT) calculations, using the PEqS algorithm described previously. We partition the electrostatic potential ϕ tot into a contribution arising directly from the solute's charge density (ϕ sol ) and a polarization potential (ϕ pol ) arising from the induced charge in the continuum: