Wannier Koopman method calculations of the band gaps of alkali halides
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DOI: 10.1063/1.4996743
Abstract: Correcting the band structure within the density functional theory (DFT) formalism is a long term goal for its development. Recently, we have proposed a Wannier Koopman method (WKM) to correct the DFT bandgap using the… read more here.
Keywords: koopman method; method calculations; method; wannier koopman ... See more keywords