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20162026
most citedLarge-scale all-electron density functional theory calculations using an enriched finite element basis

50 citations · 118 across the 14 of their papers we have counts for

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physics.chem-ph2021

A comparison of exact and model exchange-correlation potentials for molecules

Bikash Kanungo, Paul M. Zimmerman, Vikram Gavini

Accurate exchange-correlation (XC) potentials for 3-dimensional systems -- via solution of the \emph{inverse} density functional theory (DFT) problem -- are now available to test t…