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Improved grid‐based algorithm for Bader charge allocation
Improved grid‐based algorithm for Bader charge allocation
Jan 19, 2007
1 min read
outgoing-citations
Authors
Edward Sanville
Steven D. Kenny
Roger Smith
Graeme Henkelman
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Graeme Henkelman
Roger Smith
Steven D. Kenny
Edward Sanville
How accurate is density functional theory at high pressures?