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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| Format: | Article |
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2001
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| Online Access: | http://journalarticle.ukm.my/1380/ http://journalarticle.ukm.my/1380/ |