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A fast and robust algorithm for Bader decomposition of charge density

200510,124 citationsJournal Article

Authors

Graeme Henkelman · The University of Texas at Austin

Andri Arnaldsson · University of Washington

Hannes Jónsson · University of Iceland

Topics & Keywords

Machine Learning in Materials Science Advanced Chemical Physics Studies X-ray Diffraction in Crystallography

UN Sustainable Development Goals

Clean water and sanitation

Publication Details

Published in: Computational Materials Science

Volume 36, Issue 3, pp. 354-360

DOI: 10.1016/j.commatsci.2005.04.010

Field-Weighted Citation Impact: 37.16

A fast and robust algorithm for Bader decomposition of charge density | Researchclopedia