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Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

✍ Scribed by Perdew, John P.; Chevary, J. A.; Vosko, S. H.; Jackson, Koblar A.; Pederson, Mark R.; Singh, D. J.; Fiolhais, Carlos

Book ID
120973457
Publisher
The American Physical Society
Year
1992
Tongue
English
Weight
783 KB
Volume
46
Category
Article
ISSN
1098-0121

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Atoms, molecules, solids, and surfaces:
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
✍ Perdew, John P.; Chevary, J. A.; Vosko, S. H.; Jackson, Koblar A.; Pederson, Mar πŸ“‚ Article πŸ“… 1992 πŸ› The American Physical Society 🌐 English βš– 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