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- John P Perdew, Adrienn Ruzsinszky, +5 authors Kieron Burke
- 2014

John P. Perdew, Adrienn Ruzsinszky, GÃ¡bor I. Csonka, Oleg A. Vydrov, Gustavo E. Scuseria, Lucian A. Constantin, Xiaolan Zhou, and Kieron Burke Department of Physics and Quantum Theory Group, Tulaneâ€¦ (More)

- Kieron Burke
- The Journal of chemical physics
- 2012

Density functional theory (DFT) is an incredible success story. The low computational cost, combined with useful (but not yet chemical) accuracy, has made DFT a standard technique in most branches ofâ€¦ (More)

- Li Li, John C. Snyder, +6 authors Kieron Burke
- ArXiv
- 2014

Li Li, John C. Snyder, 2 Isabelle M. Pelaschier, 1 Jessica Huang, Uma-Naresh Niranjan, Paul Duncan, Matthias Rupp, Klaus-Robert MÃ¼ller, 7 and Kieron Burke 1 Department of Physics and Astronomy,â€¦ (More)

- Neepa T Maitra, Fan Zhang, Robert J. Cave, Kieron Burke
- The Journal of chemical physics
- 2004

Within the adiabatic approximation, time-dependent density functional theory yields only single excitations. Near states of double excitation character, the exact exchange-correlation kernel has aâ€¦ (More)

- Christopher J. Toher, Alessio Filippetti, Stefano Sanvito, Kieron Burke
- Physical review letters
- 2005

All density-functional calculations of single-molecule transport to date have used continuous exchange-correlation approximations. The lack of derivative discontinuity in such calculations leads toâ€¦ (More)

Density functional calculations for the electronic conductance of single molecules are now common. We examine the methodology from a rigorous point of view, discussing where it can be expected toâ€¦ (More)

- John P Perdew, Weitao Yang, +11 authors Andreas GÃ¶rling
- Proceedings of the National Academy of Sciencesâ€¦
- 2017

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exactâ€¦ (More)

- Diego J. Carrascal, Jaime Ferrer, Jeffrey C. Smith, Kieron Burke
- Journal of physics. Condensed matter : anâ€¦
- 2015

This review explains the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site Hubbard model. The relationship to traditionalâ€¦ (More)

Å½ . The local spin density LSD approximation, while of only moderate accuracy, has proven extremely reliable over three decades of use. We argue that any gradient-corrected functional should preserveâ€¦ (More)

- Lucian A. Constantin, John C. Snyder, John P Perdew, Kieron Burke
- The Journal of chemical physics
- 2010

By extrapolating the energies of nonrelativistic atoms and their ions with up to 3000 electrons within Kohn-Sham density functional theory, we find that the ionization potential remains finite andâ€¦ (More)