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20172026
most citedLocalized Orbital Scaling Correction for Systematic Elimination of Delocalization Error in Density Functional Approximations

164 citations · 282 across the 12 of their papers we have counts for

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physics.chem-ph2026

Reduced Density Matrix Functional Theory Across Molecules and Periodic Systems: Screening and Coupled Optimization

Shuxin Pei, Neil Qiang Su

Reduced density matrix functional theory (RDMFT) provides a rigorous framework for treating strong electron correlation, yet its application to periodic systems has long been hinde…