dorsal/arxiv
View SchemaSolution of Poisson's equation for finite systems using plane wave methods
| Authors | Alberto Castro, Angel Rubio, M. J. Stott |
|---|---|
| Categories | |
| ArXiv ID | physics/0012024 |
| URL | https://arxiv.org/abs/physics/0012024 |
Abstract
Reciprocal space methods for solving Poisson's equation for finite charge distributions are investigated. Improvements to previous proposals are presented, and their performance is compared in the context of a real-space density functional theory code. Two basic methodologies are followed: calculation of correction terms, and imposition of a cut-off to the Coulomb potential. We conclude that these methods can be safely applied to finite or aperiodic systems with a reasonable control of speed and accuracy.
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"date_created": "2026-03-02T18:00:32.254000Z",
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"abstract": "Reciprocal space methods for solving Poisson\u0027s equation for finite charge\ndistributions are investigated. Improvements to previous proposals are\npresented, and their performance is compared in the context of a real-space\ndensity functional theory code. Two basic methodologies are followed:\ncalculation of correction terms, and imposition of a cut-off to the Coulomb\npotential. We conclude that these methods can be safely applied to finite or\naperiodic systems with a reasonable control of speed and accuracy.",
"arxiv_id": "physics/0012024",
"authors": [
"Alberto Castro",
"Angel Rubio",
"M. J. Stott"
],
"categories": [
"physics.comp-ph"
],
"title": "Solution of Poisson\u0027s equation for finite systems using plane wave methods",
"url": "https://arxiv.org/abs/physics/0012024"
},
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