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Infinite Boundary Terms of Ewald Sums and Pairwise Interactions for Electrostatics in Bulk and at Interfaces

https://doi.org/10.1021/ct500704m
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Die Berechnung optischer und elektrostatischer Gitterpotentiale
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Presumed versus real artifacts of the Ewald summation technique: The importance of dielectric boundary conditions
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Tables of integral transforms
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The absolute positions of calculated energy bands
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Coulombic potential lattice sums
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The electrostatic potential in the surface region of an ionic crystal
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Computer Simulation of Liquids
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Understanding Molecular Simulation: From Algorithms to Applications
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Rigorous Error Bounds for Ewald Summation of Electrostatics at Planar Interfaces
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Symmetry-preserving mean field theory for electrostatics at interfaces
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Molecular dynamics computer simulation of surface properties of crystalline potassium chloride
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Electrostatics in periodic slab geometries. II
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Electrostatics in periodic slab geometries. I
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Combining the lattice-sum and reaction-field approaches for evaluating long-range electrostatic interactions in molecular simulations
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The electrostatic surface term: (I) Periodic systems
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Electrostatic potentials in systems periodic in one, two, and three dimensions
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On the proper calculation of electrostatic interactions in solid-supported bilayer systems
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Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
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A smooth particle mesh Ewald method
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Fast and spectrally accurate Ewald summation for 2-periodic electrostatic systems
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Pressure calculation in polar and charged systems using Ewald summation: Results for the extended simple point charge model of water
inferredcites →https://doi.org/10.1063/1.477414openalex-snapshot
How to mesh up Ewald sums. I. A theoretical and numerical comparison of various particle mesh routines
inferredcites →https://doi.org/10.1063/1.478738openalex-snapshot
Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r−1 summation
inferredcites →https://doi.org/10.1063/1.479595openalex-snapshot
Ewald summation for systems with slab geometry
inferredcites →https://doi.org/10.1063/1.4872019openalex-snapshot
Communication: On the origin of the surface term in the Ewald formula
inferredcites →https://doi.org/10.1073/pnas.0807623105openalex-snapshot
Interplay of local hydrogen-bonding and long-ranged dipolar forces in simulations of confined water
inferredcites →https://doi.org/10.1080/00268970410001675554openalex-snapshot
Structure and dielectric properties of polar fluids with extended dipoles: results from numerical simulations
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On the efficient and accurate short-ranged simulations of uniform polar molecular liquids
inferredcites →https://doi.org/10.1080/00268977900100951openalex-snapshot
Electrostatic lattice sums for semi-infinite lattices
inferredcites →https://doi.org/10.1080/00268978400101081openalex-snapshot
Consistent calculation of the static and frequency-dependent dielectric constant in computer simulations
inferredcites →https://doi.org/10.1080/00268978800101621openalex-snapshot
Electrostatic potentials for simulations of thin layers
inferredcites →https://doi.org/10.1088/0953-8984/11/32/307openalex-snapshot
Coulomb potential inside a large finite crystal
inferredcites →https://doi.org/10.1098/rspa.1980.0135openalex-snapshot
Simulation of electrostatic systems in periodic boundary conditions. I. Lattice sums and dielectric constants
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Simulation of electrostatic systems in periodic boundary conditions. II. Equivalence of boundary conditions
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Electrostatic energy in ionic crystals
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Simulation of electrostatic systems in periodic boundary conditions. III. Further theory and applications
inferredcites →https://doi.org/10.1103/physrevlett.105.140602openalex-snapshot
Efficient Solutions of Self-Consistent Mean Field Equations for Dewetting and Electrostatics in Nonuniform Liquids
inferredcites →https://doi.org/10.1139/p72-375openalex-snapshot
The Electrostatic Potential in a Finite Ionic Crystal
inferredcites →https://doi.org/10.1146/annurev.biophys.28.1.155openalex-snapshot
MOLECULAR DYNAMICS SIMULATIONS OF BIOMOLECULES: Long-Range Electrostatic Effects
inferredcites →https://doi.org/10.1201/9780367806934openalex-snapshot
Computer Simulation Using Particles

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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