84 citations · 359 across the 11 of their papers we have counts for
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physics.chem-ph2022
Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer
John P. Perdew, Shah Tanvir ur Rahman Chowdhury, Chandra Shahi +3
The SCAN (strongly constrained and appropriately normed) meta-generalized gradient approximation (meta-GGA), which satisfies all 17 exact constraints that a meta-GGA can satisfy, a…
physics.chem-ph2022★ 41 cited
Understanding density driven errors for reaction barrier heights
Aaron D. Kaplan, Chandra Shahi, Pradeep Bhetwal +2
Delocalization errors, such as charge-transfer and some self-interaction errors, plague computationally-efficient and otherwise-accurate density functional approximations (DFAs). E…