A. Cohen

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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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Showing 2017 · physics.chem-phShow all

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physics.chem-ph2017

Exact density functional obtained via the Levy constrained search

Paula Mori-Sánchez, Aron J. Cohen

A stochastic minimization method for a real-space wavefunction, $Ψ (r_{1}, r_{2} \dots r_{n})$ , constrained to a chosen density, $ρ (r)$ , is developed. It enabl…