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Gradient-dependent density functionals of the PBE type for atoms, molecules and solids

✍ Scribed by Pedroza, Luana S. (author);da Silva, Antonio J. R. (author);Capelle, Klaus (author)


Book ID
120708466
Year
2009
Weight
74 KB
Category
Article

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πŸ“œ SIMILAR VOLUMES


Atoms, molecules, solids, and surfaces:
✍ 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