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- W2071352017 abstract "We have developed a type of self-consistent scheme within the $GW$ approximation, which we call quasiparticle self-consistent $GW$ (QS$GW$). We have shown that QS$GW$ describes energy bands for a wide range of materials rather well, including many where the local-density approximation fails. QS$GW$ contains physical effects found in other theories such as $mathrm{LDA}+U$, self-interaction correction, and $GW$ in a satisfactory manner without many of their drawbacks (partitioning of itinerant and localized electrons, adjustable parameters, ambiguities in double counting, etc.). We present some theoretical discussion concerning the formulation of QS$GW$, including a prescription for calculating the total energy. We also address several key methodological points needed for implementation. We then show convergence checks and some representative results in a variety of materials." @default.
- W2071352017 created "2016-06-24" @default.
- W2071352017 creator A5004500272 @default.
- W2071352017 creator A5022145622 @default.
- W2071352017 creator A5030906699 @default.
- W2071352017 date "2007-10-03" @default.
- W2071352017 modified "2023-10-12" @default.
- W2071352017 title "Quasiparticle self-consistent<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math>method: A basis for the independent-particle approximation" @default.
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- W2071352017 doi "https://doi.org/10.1103/physrevb.76.165106" @default.
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