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20142024
most citedStretched or noded orbital densities and self-interaction correction in density functional theory

69 citations · 157 across the 11 of their papers we have counts for

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Showing 2021 · physics.comp-phShow all

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physics.comp-ph2021★ 13 cited

Chemical bonding theories as guides for self-interaction corrected solutions: multiple local minima and symmetry breaking

Kai Trepte, Sebastian Schwalbe, Simon Liebing +5

Fermi--Löwdin orbitals (FLO) are a special set of localized orbitals, which have become commonly used in combination with the Perdew--Zunger self-interaction correction (SIC) in th…