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Supplemental Material

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posted on 2025-01-16, 13:03 authored by Jannis Erhard, Egor Trushin, Andreas Görling
The Supplemental Material contains the orbital eigenvalues and the individual contributions to the total energies resulting from KS inversion for all considered molecules and for all investigated variants of KS inversion.

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    Journal of Chemical Physics

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    Density-functional theoryTime-dependent density-functional theoryoptimized effective potential method

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    CC BY-NC 4.0

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