Kieron Burke

Research interests

Publications

• Quantum chemical accuracy from density functional approximations via machine learning

  Nature Communications · 2020 · https://doi.org/10.1038/s41467-020-19093-1

• Understanding band gaps of solids in generalized Kohn–Sham theory

  Proceedings of the National Academy of Sciences · 2017 · https://doi.org/10.1073/pnas.1621352114

• Understanding and Reducing Errors in Density Functional Calculations

  Physical Review Letters · 2013 · https://doi.org/10.1103/physrevlett.111.073003

• Finding Density Functionals with Machine Learning

  Physical Review Letters · 2012 · https://doi.org/10.1103/physrevlett.108.253002

• DFT in a nutshell

  International Journal of Quantum Chemistry · 2012 · https://doi.org/10.1002/qua.24259

• Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)]

  Physical Review Letters · 2009 · https://doi.org/10.1103/physrevlett.102.039902

• Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

  Physical Review Letters · 2008 · https://doi.org/10.1103/physrevlett.100.136406

• Time-Dependent Density Functional Theory

  Lecture notes in physics · 2006 · https://doi.org/10.1007/b11767107

• Time-dependent density functional theory: Past, present, and future

  The Journal of Chemical Physics · 2005 · https://doi.org/10.1063/1.1904586

• Self-Interaction Errors in Density-Functional Calculations of Electronic Transport

  Physical Review Letters · 2005 · https://doi.org/10.1103/physrevlett.95.146402

• Double excitations within time-dependent density functional theory linear response

  The Journal of Chemical Physics · 2004 · https://doi.org/10.1063/1.1651060

• Derivation of a Generalized Gradient Approximation: The PW91 Density Functional

  Journal · 1998 · https://doi.org/10.1007/978-1-4899-0316-7_7

• Perdew, Burke, and Ernzerhof Reply:

  Physical Review Letters · 1998 · https://doi.org/10.1103/physrevlett.80.891

• Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]

  Physical Review Letters · 1997 · https://doi.org/10.1103/physrevlett.78.1396

• Generalized gradient approximation for the exchange-correlation hole of a many-electron system

  Physical review. B, Condensed matter · 1996 · https://doi.org/10.1103/physrevb.54.16533

• Generalized Gradient Approximation Made Simple

  Physical Review Letters · 1996 · https://doi.org/10.1103/physrevlett.77.3865

• Rationale for mixing exact exchange with density functional approximations

  The Journal of Chemical Physics · 1996 · https://doi.org/10.1063/1.472933

• Comparison shopping for a gradient-corrected density functional

  International Journal of Quantum Chemistry · 1996 · https://doi.org/10.1002/(sici)1097-461x(1996)57:3<309::aid-qua4>3.0.co;2-1

• Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory

  Physical Review A · 1995 · https://doi.org/10.1103/physreva.51.4531

Current projects

No projects listed.