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Article Dans Une Revue The Journal of Chemical Physics Année : 2019

Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation

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hal-03525558 , version 1 (13-01-2022)

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Killian Deur, Emmanuel Fromager. Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation. The Journal of Chemical Physics, 2019, 150 (9), pp.094106. ⟨10.1063/1.5084312⟩. ⟨hal-03525558⟩
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