articleComputational Materials ScienceJul 20, 2005Closed access

A fast and robust algorithm for Bader decomposition of charge density

GHGraeme HenkelmanAAAndri ArnaldssonHJHannes Jónsson

The University of Texas at Austin · University of Washington · +1 more institution

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Topics
Keywords
  • Charge density
  • Charge (physics)
  • Cluster (spacecraft)
  • Atom (system on chip)
  • Grid
  • Crystal (programming language)
  • Point particle
  • Atoms in molecules
UN Sustainable Development Goals
  • Clean water and sanitation
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