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Pedroza, Luana S., da Silva, Antonio J. R., Capelle, K. (2009) Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids. Physical Review B, 79 (20) doi:10.1103/physrevb.79.201106

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Reference TypeJournal (article/letter/editorial)
TitleGradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids
JournalPhysical Review B
AuthorsPedroza, Luana S.Author
da Silva, Antonio J. R.Author
Capelle, K.Author
Year2009 (May 18)Volume79
Issue20
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.79.201106Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14201608Long-form Identifiermindat:1:5:14201608:6
GUID0
Full ReferencePedroza, Luana S., da Silva, Antonio J. R., Capelle, K. (2009) Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids. Physical Review B, 79 (20) doi:10.1103/physrevb.79.201106
Plain TextPedroza, Luana S., da Silva, Antonio J. R., Capelle, K. (2009) Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids. Physical Review B, 79 (20) doi:10.1103/physrevb.79.201106
In(2009, May) Physical Review B Vol. 79 (20) American Physical Society (APS)

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Haas, Philipp, Tran, Fabien, Blaha, Peter, Pedroza, Luana S., da Silva, Antonio J. R., Odashima, Mariana M., Capelle, Klaus (2010) Systematic investigation of a family of gradient-dependent functionals for solids. Physical Review B, 81 (12) doi:10.1103/physrevb.81.125136
Hammer, B., Hansen, L. B., Nørskov, J. K. (1999) Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals. Physical Review B, 59 (11) 7413-7421 doi:10.1103/physrevb.59.7413
Staroverov, Viktor N., Scuseria, Gustavo E., Perdew, John P., Davidson, Ernest R., Katriel, Jacob (2006) High-density limit of the Perdew-Burke-Ernzerhof generalized gradient approximation and related density functionals. Physical Review A, 74 (4). doi:10.1103/physreva.74.044501
Peng, Haowei, Perdew, John P. (2017) Rehabilitation of the Perdew-Burke-Ernzerhof generalized gradient approximation for layered materials. Physical Review B, 95 (8) doi:10.1103/physrevb.95.081105
Lima, Matheus P., Pedroza, Luana S., da Silva, Antonio J. R., Fazzio, A., Vieira, Daniel, Freire, Henrique J. P., Capelle, K. (2007) Simple implementation of complex functionals: Scaled self-consistency. The Journal of Chemical Physics, 126 (14). 144107pp. doi:10.1063/1.2715567
Perdew, J. P., Burke, K., Ernzerhof, M. (1998) Perdew, Burke, and Ernzerhof Reply:. Physical Review Letters, 80 (4). 891 doi:10.1103/physrevlett.80.891
Pedroza, Luana S., da Silva, Antônio J. R. (2007) Ab initioMonte Carlo simulations applied to aSi5cluster. Physical Review B, 75 (24) doi:10.1103/physrevb.75.245331
Ropo, M., Kokko, K., Vitos, L. (2008) Assessing the Perdew-Burke-Ernzerhof exchange-correlation density functional revised for metallic bulk and surface systems. Physical Review B, 77 (19) doi:10.1103/physrevb.77.195445
Constantin, Lucian A., Perdew, John P., Pitarke, J. M. (2009) Exchange-correlation hole of a generalized gradient approximation for solids and surfaces. Physical Review B, 79 (7) doi:10.1103/physrevb.79.075126
Perdew, John P., Chevary, J. A., Vosko, S. H., Jackson, Koblar A., Pederson, Mark R., Singh, D. J., Fiolhais, Carlos (1993) Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Physical Review B, 48 (7) 4978 doi:10.1103/physrevb.48.4978.2
Perdew, John P., Chevary, J. A., Vosko, S. H., Jackson, Koblar A., Pederson, Mark R., Singh, D. J., Fiolhais, Carlos (1992) Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Physical Review B, 46 (11) 6671-6687 doi:10.1103/physrevb.46.6671
 
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