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Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

John P. Perdew; Adrienn Ruzsinszky; Gábor I. Csonka; Oleg A. Vydrov; Gustavo E. Scuseria; Lucian A. Constantin; Xiaolan Zhou; Kieron Burke · Physical Review Letters · 2008

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Author / responsible party
John P. Perdew; Adrienn Ruzsinszky; Gábor I. Csonka; Oleg A. Vydrov; Gustavo E. Scuseria; Lucian A. Constantin; Xiaolan Zhou; Kieron Burke
Publisher
Physical Review Letters
Year
2008
Language
English

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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.

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APA 7

Perdew, J. P, Ruzsinszky, A, Csonka, G. I, Vydrov, O. A, Scuseria, G. E, Constantin, L. A, Zhou, X, & Burke, K. (2008). Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces. https://doi.org/10.1103/physrevlett.100.136406

MLA

Perdew, John P, et al. "Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces." 2008. https://doi.org/10.1103/physrevlett.100.136406.

Chicago

Perdew, John P, Adrienn Ruzsinszky, Gábor I. Csonka, Oleg A. Vydrov, Gustavo E. Scuseria, Lucian A. Constantin, Xiaolan Zhou, and Kieron Burke. 2008. "Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces.". https://doi.org/10.1103/physrevlett.100.136406.

Harvard

Perdew, J. P. et al. 2008, Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces, Physical Review Letters, available at: https://doi.org/10.1103/physrevlett.100.136406 [Accessed 8 Aug. 2026].

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Title
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
Author / contributors
John P. Perdew; Adrienn Ruzsinszky; Gábor I. Csonka; Oleg A. Vydrov; Gustavo E. Scuseria; Lucian A. Constantin; Xiaolan Zhou; Kieron Burke
Publisher
Physical Review Letters
Publication year
2008
Language
English

Subjects

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Range (aeronautics); Density gradient; Concentration gradient; Atom (system on chip); Physics; Statistical physics; Materials science; Quantum mechanics; Chemistry; Computer science; Environmental chemistry; Embedded system
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