title: Specific features of the dielectric continuum solvation model with a position-dependent permittivity function.
abstract: We consider a modified formulation for the recently developed new approach in the continuum solvation theory (Basilevsky, M. V.; Grigoriev, F. V.; Nikitina, E. A.; Leszczynski, J. J. Phys. Chem. B 2010, 114, 2457) which is based on the exact solution of the electrostatic Poisson equation with the space-dependent dielectric permittivity. Its present modification ensures the property curl E = 0 for the electric strength field E inherent to this solution, which is the obligatory condition imposed by Maxwell equations. The illustrative computation is made for the model system of the point dipole immersed in a spherical cavity of excluded volume.
authors.affiliation: Photochemistry Center, Russian Academy of Sciences, ul. Novatorov d. 7a, 119421 Moscow, Russia.
authors.forename: M V
authors.initials: MV
authors.lastname: Basilevsky
authors.forename: F V
authors.initials: FV
authors.lastname: Grigoriev
authors.forename: O Yu
authors.initials: OY
authors.lastname: Kupervasser