Publication | Open Access
An Alternative to Ewald Sums, Part 2: The Coulomb Potential in a Periodic System
24
Citations
6
References
1999
Year
Quantum Lattice SystemEngineeringComputational ChemistryEwald SumsElectron PhysicPotential TheoryCoulomb EnergyBiophysicsElectrical EngineeringPhysicsElliptic FunctionPhysical ChemistryPeriodic SystemQuantum ChemistryCoulomb ForcesPart 2Natural SciencesAnalytic Number TheoryMany-body Problem
Abstract The formulae for the Coulomb potential derived in this paper apply to the situation most commonly encountered in applications: a basic cell containing N charges and their periodic images. The Coulomb energy or the Coulomb forces can then be calculated using e.g., Ewald sums. The formulae given here have several advantages over the Ewald technique, in particular when N is large.
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