164 citations · 282 across the 12 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 22 cited
Localized orbital scaling correction for periodic systems
Aaron Mahler, Jacob Z. Williams, Neil Qiang Su +1
Density functional theory offers accurate structure prediction at acceptable computational cost, but commonly used approximations suffer from delocalization error; this results in…
cond-mat.mtrl-sci2022★ 2 cited
Wannier Functions Dually Localized in Space and Energy
Aaron Mahler, Jacob Z. Williams, Neil Qiang Su +1
The construction of Wannier functions from Bloch orbitals offers a unitary freedom that can be exploited to yield Wannier functions with advantageous properties. Minimizing the spa…