#### Filter Results:

- Full text PDF available (119)

#### Publication Year

1987

2018

- This year (11)
- Last 5 years (39)
- Last 10 years (78)

#### Publication Type

#### Co-author

#### Journals and Conferences

Learn More

- John P Perdew, Adrienn Ruzsinszky, +5 authors Kieron Burke
- Physical review letters
- 2008

Popular modern generalized gradient approximations are biased toward the description of free-atom energies. Restoration of the first-principles gradient expansion for exchange over a wide range ofâ€¦ (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)

- 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)

- 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)

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)

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)

- 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)

- Kieron Burke, Jan Werschnik, Eberhard K. U. Gross
- The Journal of chemical physics
- 2005

Time-dependent density functional theory (TDDFT) is presently enjoying enormous popularity in quantum chemistry, as a useful tool for extracting electronic excited state energies. This articleâ€¦ (More)

The purpose of this short essay is to introduce students and other newcomers to the basic ideas and uses of modern electronic density functional theory, including what kinds of approximations are inâ€¦ (More)