Solving the finite‐difference non‐linear Poisson–Boltzmann equation
- 1 November 1992
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 13 (9) , 1114-1118
- https://doi.org/10.1002/jcc.540130911
Abstract
The Poisson–Boltzmann equation can be used to calculate the electrostatic potential field of a molecule surrounded by a solvent containing mobile ions. The Poisson–Boltzmann equation is a non‐linear partial differential equation. Finite‐difference methods of solving this equation have been restricted to the linearized form of the equation or a finite number of non‐linear terms. Here we introduce a method based on a variational formulation of the electrostatic potential and standard multi‐dimensional maximization methods that can be used to solve the full non‐linear equation. © 1992 by John Wiley & Sons, Inc.Keywords
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