Kieron Burke
- Rationale for mixing exact exchange with density functional approximations
1996/12/08 by John P. Perdew, Matthias Ernzerhof, Kieron Burke · 1 voice · 35 citations
Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Molecular Junctions and Nanostructures #Spectroscopy and Quantum Chemical Studies
- Generalized gradient approximation for the exchange-correlation hole of a many-electron system
1996/12/15 by John P. Perdew, Kieron Burke, Yue Wang · 15 citations
- Excitation energies from time-dependent density functional theory using exact and approximate functionals
2000/01/12 by Martin Petersilka, E. K. U. Gross, Petersilka, Martin +3 · 4 citations
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
- Time-dependent density functional theory: Past, present, and future
2004/10/31 by Kieron Burke, Jan Werschnik, E. K. U. Gross · 2 citations
Physics and Astronomy · #cond-mat.other #cond-mat.mtrl-sci
- Efficient prediction of 3D electron densities using machine learning
2018/11/15 by Mihail Bogojeski, Felix Brockherde, Bogojeski, Mihail +11 · 1 citation
Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #Electron and X-Ray Spectroscopy Techniques #Nuclear Physics and Applications
- Measuring density-driven errors using Kohn-Sham inversion
2020/04/24 by Seungsoo Nam, Nam, Seungsoo, Suhwan Song +5 · 1 citation
Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Physics of Superconductivity and Magnetism
- Warming Up Density Functional Theory
2017/01/04 by Justin C. Smith, Francisca Sagredo, Smith, Justin C. +3 · 1 citation
Earth and Planetary Sciences · Physics and Astronomy · #High-pressure geophysics and materials #Quantum, superfluid, helium dynamics #Advanced Chemical Physics Studies
- Can machines learn density functionals? Past, present, and future of ML in DFT
2025/03/03 by Ryosuke Akashi, Mihira Sogal, Akashi, Ryosuke +3 · 1 voice · 1 citation
#physics.comp-ph #cond-mat.mtrl-sci #physics.chem-ph
- Confirmation of the PPLB derivative discontinuity: Exact chemical\n potential at finite temperatures of a model system
2020/07/07 by Francisca Sagredo, Sagredo, Francisca, Kieron Burke +1 · 1 citation
Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Thermodynamics and Statistical Mechanics #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Phase Equilibria and Thermodynamics #Quantum Physics (quant-ph)