A fluctuation-corrected functional of ...
Document type :
Article dans une revue scientifique
DOI :
Permalink :
Title :
A fluctuation-corrected functional of convex Poisson–Boltzmann theory
Author(s) :
Blossey, Ralf [Auteur]
Unité de Glycobiologie Structurale et Fonctionnelle - UMR 8576 [UGSF]
Maggs, A. C. [Auteur]
Unité de Glycobiologie Structurale et Fonctionnelle - UMR 8576 [UGSF]
Maggs, A. C. [Auteur]
Journal title :
Journal of Physics A. Mathematical and Theoretical
Volume number :
51
Pages :
385001
Publication date :
2018-09-21
ISSN :
1751-8113, 1751-8121
HAL domain(s) :
Chimie/Chimie théorique et/ou physique
English abstract : [en]
Poisson-Boltzmann theory allows to study soft matter and biophysical systems involving point-like charges of low valencies. The inclusion of fluctuation corrections beyond the mean-field approach typically requires the ...
Show more >Poisson-Boltzmann theory allows to study soft matter and biophysical systems involving point-like charges of low valencies. The inclusion of fluctuation corrections beyond the mean-field approach typically requires the application of loop expansions around a mean-field solution for the electrostatic potential φ(r), or sophisticated variational approaches. Recently, Poisson-Boltzmann theory has been recast, via a Legendre transform, as a mean-field theory involving the dielectric displacement field D(r). In this paper we consider the path integral formulation of this dual theory. Exploiting the transformation between φ and D, we formulate a dual Sine-Gordon field theory in terms of the displacement field and provide a strategy for precise numerical computations of free energies beyond the leading order.Show less >
Show more >Poisson-Boltzmann theory allows to study soft matter and biophysical systems involving point-like charges of low valencies. The inclusion of fluctuation corrections beyond the mean-field approach typically requires the application of loop expansions around a mean-field solution for the electrostatic potential φ(r), or sophisticated variational approaches. Recently, Poisson-Boltzmann theory has been recast, via a Legendre transform, as a mean-field theory involving the dielectric displacement field D(r). In this paper we consider the path integral formulation of this dual theory. Exploiting the transformation between φ and D, we formulate a dual Sine-Gordon field theory in terms of the displacement field and provide a strategy for precise numerical computations of free energies beyond the leading order.Show less >
Language :
Anglais
Audience :
Internationale
Popular science :
Non
Administrative institution(s) :
CNRS
Université de Lille
Université de Lille
Research team(s) :
Computational Molecular Systems Biology
Submission date :
2020-02-12T15:45:46Z
2024-02-23T09:51:51Z
2024-02-23T09:51:51Z
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