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

PoissonJacobi theta functionEuler-Maclaurintwo-component plasmaEwald potentialangular-averaged potentialdisordered Coulomb systems

Mathematics Subject Classification ID

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

Recommendations

• The Ewald sums for singly, doubly and triply periodic electrostatic systems
• Taming the Ewald sum in the computer simulation of charged systems
• Potentials in low-dimensional and semi-infinite crystals
• An optimized Ewald method for long-ranged potentials
• Ewald summation technique for one-dimensional charge distributions

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

(5)

• \texttt{KelbgLIP}: program implementation of the high-temperature Kelbg density matrix for path integral and molecular dynamics simulations with long-range Coulomb interaction
• Erratum: Systematic derivation of angular-averaged Ewald potential (2022 J. Phys. A: Math. Theor. 55 385202)
• 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
• Pressure of Coulomb systems with volume-dependent long-range potentials

Describes a project that uses

Uses Software

• Mathematica

This page was built for publication: Systematic derivation of angular-averaged Ewald potential

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q5876458)