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Local simulation algorithms for Coulombic interactions

2004/09/14 by L. Levrel, Lucas Levrel, Fabien Alet +4
Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Algorithm #Computer science #Electrostatics #Hybrid Monte Carlo #Lattice (music) #Markov chain Monte Carlo #Mathematics #Monte Carlo algorithm #Monte Carlo method #Physics #Physics of Superconductivity and Magnetism #Poisson's equation #Quantum mechanics #Statistical physics #Theoretical and Computational Physics #cond-mat.soft #cond-mat.stat-mech

paper · pdf · doi:10.1007/bf02704162

published as Pramana 64, 1001 (2005) · Proceedings Statphys22 10 pages

arxiv created 2004/09/14 · openalex publication_date 2005/06/01 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

We consider dynamically constrained Monte-Carlo dynamics and show that this leads to the generation of long ranged effective interactions. This allows us to construct a local algorithm for the simulation of charged systems without ever having to evaluate pair potentials or solve the Poisson equation. We discuss a simple implementation of a charged lattice gas as well as more elaborate off-lattice versions of the algorithm. There are analogies between our formulation of electrostatics and the bosonic Hubbard model in the phase approximation. Cluster methods developed for this model further improve the efficiency of the electrostatics algorithm.

Citations