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Generalized gradient approximation to the angle- and system-averaged exchange hole

โœ Scribed by Ernzerhof, Matthias; Perdew, John P.


Book ID
120160069
Publisher
American Institute of Physics
Year
1998
Tongue
English
Weight
492 KB
Volume
109
Category
Article
ISSN
0021-9606

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Atoms, molecules, solids, and surfaces:
โœ Perdew, John P.; Chevary, J. A.; Vosko, S. H.; Jackson, Koblar A.; Pederson, Mar ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› The American Physical Society ๐ŸŒ English โš– 783 KB

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