Physics – Chemical Physics
Scientific paper
2011-07-02
The Journal of Physical Chemistry B, 2010, 114 (49), 16427-16435
Physics
Chemical Physics
31 pages, 4 figures
Scientific paper
10.1021/jp103239g
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.
Basilevsky M. V.
Grigoriev F. V.
Kupervasser Oleg
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