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Computational Materials Science–360 www.elsevier.com/locate/commatsci A fast and robust algorithm for Bader decomposition of charge density Graeme Henkelman
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Document Date: 2006-04-24 17:43:35
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Computational Materials Science–360 www.elsevier.com/locate/commatsci A fast and robust algorithm for Bader decomposition of charge density Graeme Henkelman