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Physique statistique de l'interaction coulombienne

Abstract : An algorithm for the simulation of electrostatic interactions is introduced, based on a fluctuating electric field constrained by Gauss's law. Being local, its cost is linear in the number of particles even in Monte Carlo simulations.

Using periodic boundary conditions does not require any correction term, unlike traditional methods. The simulation of systems with slab geometry is simplified. Arbitrary fixed-potential surfaces may also be used.

Gauss's law couples the dynamics of the field and charges. Free charges speed upthe relaxation of the field. The mobility of charges is hampered by a "field trail" they leave behind when moved ; a quantitative model for this effect leads to a systematic method to remove it.
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Contributor : Lucas Levrel Connect in order to contact the contributor
Submitted on : Thursday, January 11, 2007 - 4:43:09 PM
Last modification on : Friday, January 14, 2022 - 8:46:03 AM
Long-term archiving on: : Tuesday, April 6, 2010 - 7:57:23 PM



  • HAL Id : tel-00123988, version 1


Lucas Levrel. Physique statistique de l'interaction coulombienne. Analyse de données, Statistiques et Probabilités []. Université Pierre et Marie Curie - Paris VI, 2006. Français. ⟨tel-00123988⟩



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