Systematic derivation of angular-averaged Ewald potential

DOI10.1088/1751-8121/AC870BMaRDI QIDQ5876458zbMATH OpenOpenAlexFDO

Authors P. R. Levashov

Publication date 1 February 2023

Published in Journal of Physics A: Mathematical and Theoretical (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2203.15025

zbMATH Keywords

angular-averaged potentialdisordered Coulomb systemsEuler-MaclaurinEwald potentialJacobi theta functionPoissontwo-component plasma

Mathematics Subject Classification ID

Quantum theory (81-XX) Statistical mechanics, structure of matter (82-XX)

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Cites work

• A fast algorithm for particle simulations
• Computation of the Madelung constant for hypercubic crystal structures in any dimension
• Effective computer simulation of strongly coupled Coulomb fluids
• Multidimensional Euler and Poisson summation formulas
• Multiple Euler-Maclaurin summation formula
• The Art of Molecular Dynamics Simulation
• The General Utility Lattice Program (<scp>GULP</scp>)

Cited in

(6)

• Ewald methods for inverse power-law interactions in tridimensional and quasi-two-dimensional systems
• A simple general proof of the Krazer–Prym theorem and related famous formulae resolving convergence properties of Coulomb series in crystals
• Erratum: Systematic derivation of angular-averaged Ewald potential (2022 J. Phys. A: Math. Theor. 55 385202)
• Pressure of Coulomb systems with volume-dependent long-range potentials
• \texttt{KelbgLIP}: program implementation of the high-temperature Kelbg density matrix for path integral and molecular dynamics simulations with long-range Coulomb interaction
• Reply to comment on `Pressure of Coulomb systems with volume-dependent long-range potentials'

Describes a project that uses

Uses Software

• Mathematica

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