A new boundary integral equation for molecular electrostatics with charges over whole space (Q657897)

The authors propose an integral equation method to solve a boundary value problem for the Poisson equation. Such a problem can be seen as a reformulation of the basic dielectric continuum model, that is an electrostatics model in protein simulation. In this problem, the charge density function may be nonzero over the whole space. The electric permittivity is a piecewise constant function taking different values in the solute region and in the solvent region; the usual jump conditions hold on the boundary of these regions. The integral equation method is based on the standard potential theory and it yields a Fredholm integral equation of second kind. Several numerical examples are discussed to show the efficiency of the proposed method.