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- W2788894656 abstract "The self-screening error in electronic structure theory is the part of the self-interaction error that would remain within the $GW$ approximation if the exact dynamically screened Coulomb interaction, $W$, were used, causing each electron to artificially screen its own presence. This introduces error into the electron density and ionization potential. We propose a simple, computationally efficient correction to $GW$ calculations in the form of a local density functional, obtained using a series of finite training systems; in tests, this eliminates the self-screening errors in the electron density and ionization potential." @default.
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- W2788894656 date "2018-03-06" @default.
- W2788894656 modified "2023-10-14" @default.
- W2788894656 title "GW self-screening error and its correction using a local density functional" @default.
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- W2788894656 doi "https://doi.org/10.1103/physrevb.97.121102" @default.
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