V. Brosco

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In Kohn-Sham density functional theory (DFT) the interacting electron problem is mapped into a noninteracting problem in an effective potential v(KS). It is known that the charge gap of the interacting system is different from the gap of the effective problem due to a jump Δxc in v(KS) when an electron is added but its magnitude and its role in the(More)
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