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20072023
most citedLocalization and delocalization errors in density functional theory and implications for band-gap prediction

1.3k citations · 2.9k across the 14 of their papers we have counts for

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physics.comp-ph2022

Performance of a one-parameter correlation factor for transcorrelation: the Li-Ne total energies and ionization potentials

Werner Dobrautz, Aron J. Cohen, Ali Alavi +1

In this work we investigate the performance of a recently proposed transcorrelated (TC) approach based on a single-parameter correlation factor [JCP, 154, 8, 2021] for systems invo…