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Generalized approach to Ewald sums | | R E Johnson
; S Ranganathan
; | | Date: |
30 Apr 2007 | | Journal: | Phys Rev E, 75 (5 Pt 2), 056706 | | Abstract: | We derive Ewald sum formulas for potential energy and force for a system of point charges interacting with an arbitrary, long-range central potential. The system is made neutral by a uniform background of opposite charge interacting with the same potential. These formulas can be readily used in computer numerical simulations of model physical systems. In particular, expressions for the potential energy and the force have been obtained in both two and three dimensions for Coulomb and other power-law potentials, Yukawa systems, and for an electronic bilayer. We discuss numerical results and their accuracy for various systems and, based on our analysis, suggest values to be used for the parameters that appear in the Ewald sums. | | Source: | PubMed, pmid17677197 | | Services: | Forum | Review | Favorites | |
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