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Regularized Gradient Expansion for Atoms, Molecules, and Solids

✍ Scribed by Ruzsinszky, Adrienn; Csonka, Gábor I.; Scuseria, Gustavo E.


Book ID
126770322
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
552 KB
Volume
5
Category
Article
ISSN
1549-9618

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Atoms, molecules, solids, and surfaces:
✍ Perdew, John P.; Chevary, J. A.; Vosko, S. H.; Jackson, Koblar A.; Pederson, Mar 📂 Article 📅 1992 🏛 The American Physical Society 🌐 English ⚖ 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