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• W2016168218 abstract "Popular modern generalized gradient approximations are biased toward the description of free-atom energies. Restoration of the first-principles gradient expansion for exchange over a wide range of density gradients eliminates this bias. We introduce a revised Perdew-Burke-Ernzerhof generalized gradient approximation that improves equilibrium properties of densely packed solids and their surfaces." @default.
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• W2016168218 date "2008-04-04" @default.
• W2016168218 modified "2023-10-10" @default.
• W2016168218 title "Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces" @default.
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• W2016168218 doi "https://doi.org/10.1103/physrevlett.100.136406" @default.
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