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• W2000596750 abstract "We discuss a maximally localized Wannier function approach for constructing lattice models from first-principles electronic structure calculations, where the effective Coulomb interactions are calculated in the constrained random-phase approximation. The method is applied to the $3d$ transition metals and a perovskite $(mathrm{Sr}mathrm{V}{mathrm{O}}_{3})$. We also optimize the Wannier functions by unitary transformation so that $U$ is maximized. Such Wannier functions unexpectedly turned out to be very close to the maximally localized ones." @default.
• W2000596750 created "2016-06-24" @default.
• W2000596750 creator A5019720373 @default.
• W2000596750 creator A5022417926 @default.
• W2000596750 date "2008-02-27" @default.
• W2000596750 modified "2023-10-01" @default.
• W2000596750 title "Screened Coulomb interaction in the maximally localized Wannier basis" @default.
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• W2000596750 doi "https://doi.org/10.1103/physrevb.77.085122" @default.
• W2000596750 hasPublicationYear "2008" @default.
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