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A fast and robust algorithm for Bader decomposition of charge density
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A fast and robust algorithm for Bader decomposition of charge density
Graeme Henkelman; Andri Arnaldsson; Hannes Jónsson · Computational Materials Science · 2005
Subjects / keywords: Charge density; Charge (physics); Cluster (spacecraft); Atom (system on chip); Grid; Crystal (programming language); Point particle; Atoms in molecules; Algorithm; Chemistry; Molecule; Topology (electrical circuits)
Idioma English
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