Journal of Computational Chemistry · 1996 · 88 citations · 35 references
Natural SciencesPhysicsComputational PhysicsDifferential EquationsThermodynamicsFinite Difference MethodsMaxwell's EquationsPartial Differential EquationsElectrostatic Potential CalculationsEliminationPoisson - Boltzmann TheoryPoisson EquationPoisson's EquationPoisson-boltzmann EquationPoisson-boltzmann Theory
A new procedure to solve the Poisson-Boltzmann equation is proposed and shown to be efficient. The electrostatic potential due to the reaction field is calculated directly. Self-interactions among the charges are completely eliminated. Therefore, the reference calculation to cancel out the self-energy is not needed. © 1996 by John Wiley & Sons, Inc.
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