Extending the fast multipole method for charges inside a dielectric sphere in an ionic solvent: high-order image approximations for reaction fields
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Publication:2464988
DOI10.1016/j.jcp.2007.09.001zbMath1143.78011OpenAlexW2135175285WikidataQ36415642 ScholiaQ36415642MaRDI QIDQ2464988
Publication date: 18 December 2007
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: http://europepmc.org/articles/pmc2219213
fast multipole methodelectrostatic interactionionic solventreaction fieldmethods of imageshybrid solvent method
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Related Items (5)
Parallel higher-order boundary integral electrostatics computation on molecular surfaces with curved triangulation ⋮ A sixth-order image approximation to the ionic solvent induced reaction field ⋮ A new boundary integral equation for molecular electrostatics with charges over whole space ⋮ New versions of image approximations to the ionic solvent induced reaction field ⋮ Image charge approximations of reaction fields in solvents with arbitrary ionic strength
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Cites Work
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- Molecular modeling and simulation. An interdisciplinary guide
- Extending the fast multipole method to charges inside or outside a dielectric sphere
- A new version of the fast multipole method for screened Coulomb interactions in three dimensions
- The electric potential of a macromolecule in a solvent: A fundamental approach
- A fast adaptive multipole algorithm in three dimensions
- Algorithm 726: ORTHPOL–a package of routines for generating orthogonal polynomials and Gauss-type quadrature rules
- Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to Zwitterions
- A fast algorithm for particle simulations
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