Year: 2012
Type: article
Abstract: The Poisson-Boltzmann equation is often presented via a variational formulation based on the electrostatic potential. However, the functional has the defect of being non-convex. It cannot be used as a local minimization principle while coupled to other dynamic degrees of freedom. We formulate a convex dual functional which is numerically equivalent at its minimum and which is more suited to local optimization.
Source: Europhysics Letters (EPL)
Author: A. C. Maggs
Institutions: Centre National de la Recherche Scientifique, Gulliver
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W1973222024