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Hybrid functionals including random phase approximation correlation and second-order screened exchange
Joachim Paier, Benjamin G. Janesko, Thomas M. Henderson, Gustavo E. Scuseria, Andreas Grüneis, Kresse Georg (2010). Hybrid functionals including random phase approximation correlation and second-order screened exchange. The Journal of Chemical Physics, 132(9), DOI: 10.1063/1.3317437.
Article415 days agoErratum: “Hybrid functionals including random phase approximation correlation and second-order screened exchange” [J. Chem. Phys. 132, 094103 (2010)]
Joachim Paier, Benjamin G. Janesko, Thomas M. Henderson, Gustavo E. Scuseria, Andreas Grüneis, Kresse Georg (2010). Erratum: “Hybrid functionals including random phase approximation correlation and second-order screened exchange” [J. Chem. Phys. 132, 094103 (2010)]. , 133 (17), DOI: https://doi.org/10.1063/1.3501928.
Corrigendum234 days agoUnderstanding band gaps of solids in generalized Kohn–Sham theory
John P Perdew, Weitao Yang, Kieron Burke, Zeng-hui Yang, E. K. U. Gross, Matthias Scheffler, Gustavo E. Scuseria, Thomas M. Henderson, Igor Ying Zhang, Adrienn Ruzsinszky, Haowei Peng, Jianwei Sun, Egor Trushin, Andreas Görling (2017). Understanding band gaps of solids in generalized Kohn–Sham theory. , 114(11), DOI: https://doi.org/10.1073/pnas.1621352114.
Article59 days agoBlind test of density-functional-based methods on intermolecular interaction energies
DeCarlos E. Taylor, János G. Ángyán, Giulia Galli, Cui Zhang, François Gygi, Kimihiko Hirao, Jong Won Song, Rahul Kar, O. Anatole von Lilienfeld, Rafał Podeszwa, Ireneusz W. Bulik, Thomas M. Henderson, Gustavo E. Scuseria, Julien Toulouse, Roberto Peverati, Donald G Truhlar, Krzysztof Szalewicz (2016). Blind test of density-functional-based methods on intermolecular interaction energies. , 145(12), DOI: https://doi.org/10.1063/1.4961095.
Article44 days ago