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20142024
most citedLarge-scale all-electron density functional theory calculations using an enriched finite element basis

50 citations · 95 across the 5 of their papers we have counts for

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physics.chem-ph2024

Accelerating inverse Kohn-Sham calculations using reduced density matrices

Bikash Kanungo, Soumi Tribedi, Paul M. Zimmerman +1

The Ryabinkin-Kohut-Staroverov (RKS) and Kanungo-Zimmerman-Gavini (KZG) methods offer two approaches to find exchange-correlation (XC) potentials from ground state densities. The R…