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arxiv: 1107.0407 · v2 · pith:CB3ICTWXnew · submitted 2011-07-02 · ⚛️ physics.chem-ph · cond-mat.mes-hall· cond-mat.stat-mech

Continuous dielectric permittivity I: Specific features of the dielectric continuum solvation model with a position-dependent permittivity function

classification ⚛️ physics.chem-ph cond-mat.mes-hallcond-mat.stat-mech
keywords dielectricpermittivitycontinuummodelsolutionsolvationapproachbasilevsky
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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.

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