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1999•Molecular SimulationOpen access

An Alternative to Ewald Sums, Part 2: The Coulomb Potential in a Periodic System

R. Sperb

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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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What this paper is about

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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OpenAlex reports 25 citations for this work. Citation counts describe recorded attention and do not establish research quality.

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Available 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.

Key concepts: Coulomb, Ewald summation, Electric potential energy, Physics, Statistical physics, Energy (signal processing), Classical mechanics, Quantum mechanics

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