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Generalized gradient approximation for the exchange-correlation hole of a many-electron system

✍ Scribed by Perdew, John P.; Burke, Kieron; Wang, Yue

Book ID: 121314700
Publisher: The American Physical Society
Year: 1996
Tongue: English
Weight: 175 KB
Volume: 54
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.54.16533

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Atoms, molecules, solids, and surfaces:

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Generalized gradient approximations (GGA s) seek to improve upon the accuracy of the local-spin- density (LSD) approximation in electronic-structure calculations. Perdew and Wang have developed a GGA based on real-space cutoff of the spurious long-range components of the second-order gradient ex- pa