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Graeme Henkelman

Graeme Henkelman

Jun 19, 20251 min read

Publications

  • A fast and robust algorithm for Bader decomposition of charge density
  • Improved grid‐based algorithm for Bader charge allocation
  • A grid-based Bader analysis algorithm without lattice bias

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Backlinks

  • A fast and robust algorithm for Bader decomposition of charge density
  • A grid-based Bader analysis algorithm without lattice bias
  • Improved grid‐based algorithm for Bader charge allocation

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