75 citations · 224 across the 11 of their papers we have counts for
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physics.comp-ph2020★ 19 cited
Real Space Orthogonal Projector-Augmented-Wave Method
Wenfei Li, Daniel Neuhauser
The projector augmented wave (PAW) method of Blöchl makes smooth but non-orthogonal orbitals. Here we show how to make PAW orthogonal, using a cheap transformation of the wave-func…
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…