New versions of image approximations to the ionic solvent induced reaction field

DOI10.1016/J.CPC.2007.08.015MaRDI QIDQ710313zbMATH OpenOpenAlexWikidataFDO

Authors Changfeng Xue, Shaozhong Deng

Publication date 18 October 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL http://europepmc.org/articles/pmc2997574

zbMATH Keywords

hybrid solvent modelionic solventmethod of imagesreaction field

Mathematics Subject Classification ID

Electro- and magnetostatics (78A30)

Recommendations

• A sixth-order image approximation to the ionic solvent induced reaction field
• Image charge approximations of reaction fields in solvents with arbitrary ionic strength
• Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: high-order image approximations for reaction fields
• Image charge methods for a three-dielectric-layer hybrid solvation model of biomolecules
• A comparable study of image approximations to the reaction field

Cites work

• A Fast Adaptive Multipole Algorithm for Particle Simulations
• A fast adaptive multipole algorithm in three dimensions
• A fast algorithm for particle simulations
• A new version of the fast multipole method for screened Coulomb interactions in three dimensions
• Algorithm 726: ORTHPOL–a package of routines for generating orthogonal polynomials and Gauss-type quadrature rules
• Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: high-order image approximations for reaction fields
• Extending the fast multipole method to charges inside or outside a dielectric sphere
• scientific article; zbMATH DE number 3863589 (Why is no real title available?)
• scientific article; zbMATH DE number 486467 (Why is no real title available?)
• scientific article; zbMATH DE number 1069612 (Why is no real title available?)
• scientific article; zbMATH DE number 3082267 (Why is no real title available?)
• The electric potential of a macromolecule in a solvent: A fundamental approach

Cited in

(7)

• Image charge approximations of reaction fields in solvents with arbitrary ionic strength
• Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: high-order image approximations for reaction fields
• Mellin transform and image charge method for dielectric sphere in an electrolyte
• Image approximations to electrostatic potentials in layered electrolytes/dielectrics and an ion-channel model
• Image charge method for reaction fields in a hybrid ion-channel model
• A sixth-order image approximation to the ionic solvent induced reaction field
• A comparable study of image approximations to the reaction field

Describes a project that uses

Uses Software

• ORTHPOL

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