Electrostatic energy in ionic crystals

DOI10.1098/RSPA.1981.0064MaRDI QIDQ3953375zbMATH OpenOpenAlexFDO

Authors E. R. Smith

Publication date 1981

Published in Proceedings of the Royal Society of London. Series A: Mathematical and Physical Sciences (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1098/rspa.1981.0064

zbMATH Keywords

CsCl latticedifferent bulk energiesdifferent descriptions of same crystal structureelectrostatic energiesfinite cube of simple cubic crystallarge, finite and arbitrarily shaped pieces of ionic crystalMadelung constantsurface correctionsunit cell energy

Mathematics Subject Classification ID

Electromagnetic effects in solid mechanics (74F15) Electro- and magnetostatics (78A30) Statistical mechanics of crystals (82D25)

Cited in

(10)

• Hydrodynamic interactions in Brownian dynamics. I: Periodic boundary conditions for computer simulations
• Multipole Ewald sums for the fast multipole method
• Calculating the pressure in simulations using periodic boundary conditions
• The scientific contributions of Edgar R. Smith
• Calculation of the long-range interactions for interfacial properties
• Large-scale simulations of microstructural evolution in elastically stressed solids.
• Random Batch Sum-of-Gaussians Method for Molecular Dynamics Simulations of Particle Systems
• Ohta-Kawasaki energy for amphiphiles: asymptotics and phase-field simulations
• Random batch ewald method for dielectrically confined Coulomb systems
• Calculation of lattice sums of general type

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