most citedAccurate and efficient algorithm for Bader charge integration

2.1k citations · 2.1k across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2010★ 2.1k cited

Accurate and efficient algorithm for Bader charge integration

Min Yu, Dallas R. Trinkle

We propose an efficient, accurate method to integrate the basins of attraction of a smooth function defined on a general discrete grid, and apply it to the Bader charge partitionin…