Rationale for mixing exact exchange with density functional approximations

By J. Perdew, M. Ernzerhof, Kieron Burke. 1996

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Citations in the corpus

Machine learning of molecular electronic properties in chemical compound space (2013, methodology): “Static polarizability has been calculated using self-consistent screening (SCS) [28] as well as hybrid density functional theory (PBE0) [29, 30].”
Orbital-dependent density functionals: Theory and applications (2008, background): “Perdew, Ernzerhof, and Burke 1996 rationalized the empirical values found for b by proposing a simple model for Exc, in the form Exc, hyb = Exc, app + Ex exact − Ex app 1 − n−1.”
Electron-phonon interactions from first principles (2016, result): “They employed the PBE0 hybrid functional [400] with a fraction of exact exchange α= 30%, and obtained an enhancement of the total coupling strength λ of 42% as compared to PBE.”
Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors (2005, methodology): “The SCS, PBE0 and GW calculations have been performed using FHI-aims; [22, 35], ZINDO/s calculations are based on the ORCA code [36].”
Effect of Rb and Ta Doping on the Ionic Conductivity and Stability of the Garnet Li7+2x–y(La3–xRbx)(Zr2–yTay)O12 (0 ≤ x ≤ 0.375, 0 ≤ y ≤ 1) Superionic Conductor: A First Principles Investigation (2013, unknown): “the Perdew-Burke-Ernzerhof (PBE) generalized-gradient approximation (GGA) [29] functional.”
Defect identification in semiconductors with positron annihilation: Experiment and theory (2013, background): “Rather recently so-called hybrid functionals (Becke, 1993; Perdew, Ernzerhof, and Burke, 1996; Adamo and Barone, 1999; Heyd, Scuseria, and Ernzerhof, 2003) have been applied, where part of the exchange and correlation is calculated within the Hartree-Fock approach to improve the description of…”