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20162024
most citedStretched or noded orbital densities and self-interaction correction in density functional theory

69 citations · 153 across the 11 of their papers we have counts for

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Showing 2022 · physics.comp-phShow all

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physics.comp-ph2022★ 12 cited

How good are recent density functionals for ground and excited states of one-electron systems?

Sebastian Schwalbe, Kai Trepte, Susi Lehtola

Sun et al. [J. Chem. Phys. 144, 191101 (2016)] suggested that common density functional approximations (DFAs) should exhibit large energy errors for excited states as a necessary c…