337 citations
- Pacific Northwest National LaboratoryUS46 papers
- University of WashingtonUS10 papers
- BattelleUS7 papers
- Lawrence Berkeley National LaboratoryUS6 papers
- Advanced Photon Source3 papers
- Argonne National LaboratoryUS3 papers
- John Wiley & Sons (United States)US3 papers
- Washington State University Tri-CitiesUS3 papers
- Diamond Light SourceGB2 papers
- Hebrew University of JerusalemIL2 papers
- Institute for Atomic and Molecular PhysicsNL2 papers
- Karlsruhe Institute of TechnologyDE2 papers
Showing 2012Show all
2 papers · 1 filter
cond-mat.other2012
Curvature and frontier orbital energies in density functional theory
Tamar Stein, Jochen Autschbach, Niranjan Govind +2
Perdew et al. [Phys. Rev. Lett 49, 1691 (1982)] discovered and proved two different properties of exact Kohn-Sham density functional theory (DFT): (i) The exact total energy versus…
cond-mat.str-el2012★ 306 cited
Quasiparticle spectra from a non-empirical optimally-tuned range-separated hybrid density functional
Sivan Refaely-Abramson, Sahar Sharifzadeh, Niranjan Govind +4
We present a method for obtaining outer valence quasiparticle excitation energies from a DFT-based calculation, with accuracy that is comparable to that of many-body perturbation t…