Madelung constants for ionic crystals using the Ewald sum

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Madelung constants for ionic crystals using the Ewald sum

Ionic crystal configuration energies have always been one of the bugbears of computational thermodynamics due to the inherent long-range interactions. Unlike the van der Waals forcer associated with non-ionic compounds, it is not possible to utilize a long-range cutoff,' ionic interactions r...

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Bibliographic Details
Main Author:	M.Pratt, Ronald
Format:	Article
Published:	2001
Online Access:	http://journalarticle.ukm.my/1380/

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