Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]
By J. Perdew, Kieron Burke, M. Ernzerhof. 1997
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Citations in the corpus
- Machine learning of molecular electronic properties in chemical compound space (2013, methodology): “The resulting geometries were relaxed using the PBE approximation [20] to Kohn-Sham density functional theory (DFT) [21] in a converged numerical basis, as implemented in the FHI-aims code [22] (tight settings/tier2 basis set).”
- Wannier90 as a community code: new features and applications (2019, methodology): “For the exchange-correlation functional we use the Perdew–Burke–Ernzerhof approximation [27].”