Image charge approximations of reaction fields in solvents with arbitrary ionic strength

DOI10.1016/j.jcp.2008.11.023zbMath1160.78320OpenAlexW2117904766WikidataQ37286437 ScholiaQ37286437MaRDI QIDQ1009961

Zhenli Xu, Wei Cai, Shaozhong Deng

Publication date: 3 April 2009

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: http://europepmc.org/articles/pmc2719861

zbMATH Keywords

method of imagesPoisson-Boltzmann equationelectrostatic interactionreaction fieldhybrid explicit/implicit solvation models

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Electro- and magnetostatics (78A30) Numerical methods for partial differential equations, boundary value problems (65N99)

Related Items

Image approximations to electrostatic potentials in layered electrolytes/dielectrics and an ion-channel model ⋮ Harmonic Surface Mapping Algorithm for Electrostatic Potentials in an Atomistic/Continuum Hybrid Model for Electrolyte Solutions

Uses Software

• Mathematica

Cites Work

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• Extending the fast multipole method to charges inside or outside a dielectric sphere
• A fast adaptive multipole algorithm in three dimensions
• Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: high-order image approximations for reaction fields
• Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to Zwitterions
• A fast algorithm for particle simulations