Keywords

Charge densityCharge (physics)Cluster (spacecraft)Atom (system on chip)GridCrystal (programming language)Point particleAtoms in moleculesAlgorithmChemistryMoleculeTopology (electrical circuits)Atomic physicsPhysicsMathematicsQuantum mechanicsGeometryComputer scienceCombinatorics

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Publication Info

Year
2005
Type
article
Volume
36
Issue
3
Pages
354-360
Citations
9731
Access
Closed

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Cite This

Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson (2005). A fast and robust algorithm for Bader decomposition of charge density. Computational Materials Science , 36 (3) , 354-360. https://doi.org/10.1016/j.commatsci.2005.04.010

Identifiers

DOI
10.1016/j.commatsci.2005.04.010