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20202023
most citedAccurate Hellmann-Feynman forces from density functional calculations with augmented Gaussian basis sets

17 citations · 27 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2020★ 9 cited

Dopant levels in large nanocrystals using stochastic optimally tuned range-separated hybrid density functional theory

Alex J. Lee, Ming Chen, Wenfei Li +3

We apply a stochastic version of an optimally tuned range-separated hybrid functional to provide insight on the electronic properties of P- and B- doped Si nanocrystals of experime…