164 citations · 282 across the 12 of their papers we have counts for
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physics.chem-ph2021★ 1 cited
LibSC: Library for Scaling Correction Methods in Density Functional Theory
Yuncai Mei, Jincheng Yu, Zehua Chen +2
In recent years, a series of scaling correction (SC) methods have been developed in the Yang laboratory to reduce and eliminate the delocalization error, which is an intrinsic and…
physics.chem-ph2021★ 9 cited
Approximate Functionals in Hypercomplex Kohn-Sham Theory
Neil Qiang Su
The recently developed hypercomplex Kohn-Sham (HCKS) theory shows great potential to overcome the static/strong correlation issue in density functional theory (DFT), which highligh…
physics.chem-ph2021★ 28 cited
Unity of Kohn-Sham Density Functional Theory and Reduced Density Matrix Functional Theory
Neil Qiang Su
This work presents a theory to unify the two independent theoretical frameworks of Kohn-Sham (KS) density functional theory (DFT) and reduced density matrix functional theory (RDMF…