K. Burke

发表

Derivation of a generalized gradient approximation: The PW91 density functional

K. Burke, J. Perdew, Yue Wang, 1998 .

Rationale for mixing exact exchange with density functional approximations

K. Burke, J. Perdew, M. Ernzerhof, 1996 .

Kernels, Pre-images and Optimization

Klaus-Robert Müller, Sebastian Mika, John C. Snyder, 2013, Empirical Inference.

Perspective on density functional theory.

K. Burke, 2012, The Journal of chemical physics.

Orbital-free bond breaking via machine learning.

John C. Snyder, K. Müller, M. Rupp, 2013, The Journal of chemical physics.

Retrospective on a decade of machine learning for chemical discovery

O. A. von Lilienfeld, K. Burke, O. von Lilienfeld, 2020, Nature Communications.

Design of a grating-based thin-film filter for broadband spectropolarimetry.

Kieron Burke, K. Burke, Donghyun Kim, 2003, Applied optics.

Partition Density Functional Theory

Kieron Burke, Adam Wasserman, Peter Elliott, 2009, 0901.0942.

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

K. Burke, J. Perdew, M. Ernzerhof, 1997 .

Density Sensitivity of Empirical Functionals.

K. Burke, Suhwan Song, Stefan Vuckovic, 2020, The journal of physical chemistry letters.

Quantifying and Understanding Errors in Molecular Geometries.

K. Burke, Stefan Vuckovic, 2020, The journal of physical chemistry letters.

Perdew, Burke, and Ernzerhof Reply:

K. Burke, J. Perdew, M. Ernzerhof, 1998 .

One Dimensional Mimicking of Electronic Structure: The Case for Exponentials

T. E. Baker, E. M. Stoudenmire, K. Burke, 2015, 1504.05620.

Quantum chemical accuracy from density functional approximations via machine learning

K. Müller, K. Burke, M. Tuckerman, 2020, Nature Communications.

Chemical accuracy from small, system-adapted basis functions

T. E. Baker, K. Burke, S. White, 2017, 1709.03460.

Generalized gradient approximation for solids and their surfaces

G. Scuseria, K. Burke, J. Perdew, 2007, 0707.2088.

Restoring the density-gradient expansion for exchange in solids and surfaces.

G. Scuseria, K. Burke, J. Perdew, 2007, Physical review letters.

Guaranteed convergence of the Kohn-Sham equations.

Kieron Burke, Steven R White, E. M. Stoudenmire, 2013, Physical Review Letters.

Accurate correlation energies in one-dimensional systems from small system-adapted basis functions

T. E. Baker, K. Burke, S. White, 2018 .

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

Kieron Burke, Fan Zhang, K. Burke, 2004, The Journal of chemical physics.

Pure density functional for strong correlation and the thermodynamic limit from machine learning

Kieron Burke, Thomas E. Baker, Li Li, 2016, 1609.03705.

Thermal Density Functional Theory in Context

Kieron Burke, Aurora Pribram-Jones, Stefano Pittalis, 2013, 1309.3043.

WMES 2020

P. Gori-Giorgi, K. Burke, E. Fabiano, 2020 .

Perdew et al. Reply

G. Scuseria, K. Burke, J. Perdew, 2008 .

Machine learning and density functional theory

K. Burke, Ryan Pederson, Bhupalee Kalita, 2022, 2205.01591.

The Importance of Being Inconsistent.

K. Burke, A. Wasserman, Eunji Sim, 2016, Annual review of physical chemistry.

The Importance of being Consistent

K. Burke, A. Wasserman, Eunji Sim, 2017 .

Two new approaches for electronic structure: Partition Density Functional Theory and Potential Functional Theory

K. Burke, R. Wu, P. Elliott, 2009 .

Kohn-Sham calculations with the exact functional

T. E. Baker, E. M. Stoudenmire, K. Burke, 2014, 1405.0864.

Ten topical questions in time-dependent density functional theory

K. Burke, H. Appel, E. Gross, 2002 .

Why the generalized gradient approximation works and how to go beyond it

Kieron Burke, K. Burke, J. Perdew, 1997 .

Comment on ''Analysis of Floquet formulation of time-dependent density-functional theory'' (Chem. Phys. Lett. 433 (2006) 204)

K. Burke, N. Maitra, 2007, 0704.2084.

On the Floquet formulation of time-dependent density functional theory

K. Burke, N. Maitra, 2002 .

Measuring density-driven errors using Kohn-Sham inversion.

K. Burke, Suhwan Song, Eunji Sim, 2020, Journal of chemical theory and computation.

The quantum defect: the true measure of time-dependent density-functional results for atoms.

K. Burke, M. van Faassen, 2005, The Journal of chemical physics.

A new challenge for time-dependent density functional theory

K. Burke, M. V. Faassen, 2006, cond-mat/0606534.

Quantifying Density Errors in DFT.

K. Burke, Suhwan Song, Eunji Sim, 2018, The journal of physical chemistry letters.

Benchmarks and reliable DFT results for spin-crossover complexes

K. Burke, A. Benali, O. Heinonen, 2017, 1708.08425.

Exact and approximate energy sums in potential wells

M. Berry, K. Burke, M. Berry, 2020, Journal of Physics A: Mathematical and Theoretical.

Kohn-Sham equations as regularizer: building prior knowledge into machine-learned physics pdf

Kieron Burke, Li Li, Ruoxi Sun, 2020, Physical review letters.

Continuum states from time-dependent density functional theory.

K. Burke, N. Maitra, A. Wasserman, 2005, Journal of Chemical Physics.

One-dimensional Continuum Electronic Structure Calculations with the Density Matrix Renormalization Group

E. M. Stoudenmire, K. Burke, S. White, 2011 .

Erratum: Generalized gradient approximation for the exchange-correlation hole of a many-electron system [Phys. Rev. B 54 , 16 533 (1996)]

K. Burke, J. Perdew, Yue Wang, 1998 .

Rules for minimal atomic multipole expansion of molecular fields.

K. Burke, E. Tsiper, 2003, The Journal of chemical physics.

Machine learning and density functional theory

K. Burke, Ryan Pederson, Bhupalee Kalita, 2022, Nature Reviews Physics.

Recent Developments in Density Functional Approximations

K. Burke, Li Li, 2020, Handbook of Materials Modeling.

Conditional probability density functional theory

K. Burke, S. White, Ryan Pederson, 2022, Physical Review B.

Seven Useful Questions in Density Functional Theory

K. Burke, A. Wasserman, K. Datchev, 2022, 2207.05794.

Asymptotics of eigenvalue sums when some turning points are complex

K. Burke, P. Okun, 2022, 2204.04524.

Testing Machine Learning Methods on Density Functional Theory and Simple Toy Model

Kevin Vu, John C. Snyder, Kieron Burke, 2013 .

Time-dependent density functional theory: past, present, and future.

K. Burke, E. Gross, J. Werschnik, 2004, The Journal of chemical physics.

Bypassing the equations with machine learning.

K. Burke, M. Tuckerman, Klaus-Robert Müller, 2017 .

Lies My Teacher Told Me About Density Functional Theory: Seeing Through Them with the Hubbard Dimer

K. Burke, John Kozlowski, 2021, 2108.11534.

Excited states from time-dependent density functional theory

K. Burke, P. Elliott, F. Furche, 2007, cond-mat/0703590.

Reference electronic structure calculations in one dimension.

K. Burke, S. White, Lucas Wagner, 2012, Physical chemistry chemical physics : PCCP.

Density Functionals: Where Do They Come from, Why Do They Work?

K. Burke, J. Perdew, M. Ernzerhof, 1996 .

Interacting Electrons: Theory and Computational Approaches

K. Burke, Justin C. Smith, 2017 .

Improving Electronic Structure Calculations

K. Burke, 2016 .

Roadmap on Machine learning in electronic structure

Kristof T. Schütt, T. Carrington, S. Manzhos, 2022, Electronic Structure.

Self-interaction errors in density-functional calculations of electronic transport.

K. Burke, C. Toher, A. Filippetti, 2005, Physical review letters.

Time-dependent density functional theory: past, present, and future.

K. Burke, E. Gross, J. Werschnik, 2004, The Journal of chemical physics.

Pride, Prejudice, and Penury of ab initio Transport Calculations for Single Molecules

K. Burke, F. Evers, 2006, Nano and Molecular Electronics Handbook.

Double-pole approximation in time-dependent density functional theory

K. Burke, H. Appel, E. Gross, 2005, cond-mat/0510396.

Continuum states from time-dependent density functional theory.

K. Burke, N. Maitra, A. Wasserman, 2005, The Journal of chemical physics.

Demonstration of initial-state dependence in time-dependent density-functional theory

K. Burke, N. Maitra, 2000, cond-mat/0010432.

Total energy density as an interpretative tool

E. Engel, K. Burke, Morrell H. Cohen, 1999, cond-mat/9912202.

Adiabatic connection from accurate wave-function calculations

K. Burke, William H. Terilla, D. Frydel, 1999, cond-mat/9910176.

Adiabatic connection for near degenerate excited states

K. Burke, Fan Zhang, 2004 .

Rules for minimal atomic multipole expansion of molecular fields.

K. Burke, E. Tsiper, 2003, The Journal of chemical physics.

Seven Useful Questions in Density Functional Theory

K. Burke, A. Wasserman, Suhwan Song, 2022, 2207.05794.

Current-density functional theory of the response of solids

K. Burke, I. Souza, N. Maitra, 2002, cond-mat/0205603.

Excitations in time-dependent density-functional theory.

K. Burke, H. Appel, E. Gross, 2002, Physical review letters.

Density functional calculations of nanoscale conductance

K. Burke, R. Car, C. Chang, 2007, cond-mat/0703591.

Supplemental material for “Direct extraction of excitation energies from ensemble density-functional theory”

K. Burke, C. Ullrich, Zeng-Hui Yang, 2017 .

Time-dependent density functional calculation of e-H scattering.

E. Engel, K. Burke, A. Wasserman, 2007, Physical review letters.

A new challenge for time-dependent density functional theory

K. Burke, M. V. Faassen, 2006, cond-mat/0606534.

Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula

K. Burke, F. Evers, M. Koentopp, 2005, cond-mat/0502385.

Rydberg transition frequencies from the local density approximation.

K. Burke, A. Wasserman, 2005, Physical review letters.

Accurate Rydberg excitations from the local density approximation.

K. Burke, N. Maitra, A. Wasserman, 2003, Physical review letters.

What is time-dependent density functional theory? Successes and Challenges

K. Burke, N. Maitra, A. Wasserman, 2002 .

Comparison shopping for a gradient-corrected density functional

Kieron Burke, John P. Perdew, K. Burke, 1996 .

Asymptotics of eigenvalue sums when some turning points are complex

K. Burke, P. Okun, 2022, Journal of Physics A: Mathematical and Theoretical.

Leading Correction to the Local Density Approximation for Exchange in Large-Z Atoms.

K. Burke, N. Argaman, A. Cancio, 2022, Physical review letters.

Efficient prediction of 3 D electron densities using machine learning

K. Müller, K. Burke, M. Tuckerman, 2018 .

Density Functionals with Quantum Chemical Accuracy: From Machine Learning to Molecular Dynamics

K. Burke, M. Tuckerman, Leslie Vogt-Maranto, 2019 .

Relevance of the slowly varying electron gas to atoms, molecules, and solids.

K. Burke, J. Perdew, E. Sagvolden, 2006, Physical review letters.

Density functional theory of dissipative systems

K. Burke, R. Car, R. Gebauer, 2004, cond-mat/0410352.

Quantum critical benchmark for electronic structure theory

K. Burke, P. Grabowski, 2015 .

Theoretical Investigation of the Ground and Excited States of Coumarin 151 and Coumarin 120

K. Burke, E. Castner, R. J. Cave, 2002 .

Approximate Density Functionals: Which Should I Choose?

K. Burke, Dmitrij Rappoport, F. Furche, 2009 .

Understanding Kernel Ridge Regression: Common behaviors from simple functions to density functionals pdf

Li Li, Klaus-Robert Müller, Kevin Vu, 2015, ArXiv.

Basics of TDDFT

Kieron Burke, K. Burke, E. Gross, 2006 .

Magnetic properties of sheet silicates; 2:1:1 layer minerals

K. Burke, J. Coey, O. Ballet, 1981 .

Understanding Machine-learned Density Functionals pdf

Li Li, Klaus-Robert Müller, John C. Snyder, 2014, ArXiv.

Deriving approximate functionals with asymptotics.

K. Burke, 2020, Faraday discussions.

Density Functional Partition Theory with Fractional Occupations.

Kieron Burke, Adam Wasserman, Peter Elliott, 2009, Journal of chemical theory and computation.

Real‐space analysis of the exchange‐correlation energy

K. Burke, J. Perdew, 1995 .

Exploration of surfaces by atomic scattering in the almost classical regime

W. Kohn, K. Burke, J. Jensen, 1991 .

Accurate atomic quantum defects from particle–particle random phase approximation

K. Burke, Weitao Yang, Yang Yang, 2015, 1510.07579.

Finding electron affinities with approximate density functionals

Kieron Burke, K. Burke, Donghyung Lee, 2010 .

Can optimized effective potentials be determined uniquely

So Hirata, Kieron Burke, Rodney J. Bartlett, 2001 .

Communication: Ionization potentials in the limit of large atomic number.

John C. Snyder, K. Burke, J. Perdew, 2010, The Journal of chemical physics.

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

Kieron Burke, Gábor I. Csonka, Gustavo E. Scuseria, 2009 .

Finding Density Functionals with Machine Learning

Klaus-Robert Müller, John C. Snyder, Matthias Rupp, 2011, Physical review letters.

Extending density functional theory with near chemical accuracy beyond pure water

K. Burke, Suhwan Song, Stefan Vuckovic, 2022, Nature Communications.

Improving Results by Improving Densities: Density-Corrected Density Functional Theory.

K. Burke, Suhwan Song, Stefan Vuckovic, 2022, Journal of the American Chemical Society.

A guided tour of time-dependent density functional theory

K. Burke, E. Gross, 1998 .

Accuracy of Electron Affinities of Atoms in Approximate Density Functional Theory

K. Burke, F. Furche, Donghyung Lee, 2010 .

Communication: Avoiding unbound anions in density functional calculations.

Eunji Sim, Kieron Burke, K. Burke, 2011, The Journal of chemical physics.

Improved DFT Potential Energy Surfaces via Improved Densities.

Eunji Sim, Kieron Burke, Hansol Park, 2015, The journal of physical chemistry letters.

Understanding and reducing errors in density functional calculations.

Eunji Sim, Kieron Burke, K. Burke, 2012, Physical review letters.

Ions in solution: density corrected density functional theory (DC-DFT).

K. Burke, Eunji Sim, Min‐Cheol Kim, 2014, The Journal of chemical physics.

Bypassing the Kohn-Sham equations with machine learning

Li Li, Klaus-Robert Müller, Kieron Burke, 2016, Nature Communications.

Exact conditions in finite-temperature density-functional theory.

E K U Gross, S Pittalis, K. Burke, 2010, Physical review letters.

Uniform semiclassical approximations for one-dimensional fermionic systems

K. Burke, R. Ribeiro, Raphael F. Ribeiro, 2015, 1510.05676.

Corrections to Thomas-Fermi densities at turning points and beyond.

K. Burke, P. Elliott, R. Ribeiro, 2014, Physical review letters.

Leading corrections to local approximations

K. Burke, P. Elliott, A. Cangi, 2010, 1002.1351.

The Hubbard dimer: a density functional case study of a many-body problem

K. Burke, J. Ferrer, J. C. Smith, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Correlation in time-dependent density-functional theory

K. Burke, N. Maitra, P. Hessler, 2002 .

Several Theorems in Time-Dependent Density Functional Theory

K. Burke, P. Hessler, J. Park, 1999 .

Density functional description of Coulomb blockade: Adiabatic versus dynamic exchange correlation

K. Burke, Zhen-Fei Liu, 2015, 1503.06222.

Understanding band gaps of solids in generalized Kohn–Sham theory

Kieron Burke, Gustavo E. Scuseria, Haowei Peng, 2016, Proceedings of the National Academy of Sciences.

Exact Conditions and Their Relevance in TDDFT

K. Burke, Zeng-Hui Yang, Lucas Wagner, 2012 .

The Role of Exact Conditions in TDDFT

K. Burke, Lucas Wagner, 2011, 1102.1706.

Linear response time-dependent density functional theory of the Hubbard dimer

K. Burke, J. Ferrer, N. Maitra, 2018, The European Physical Journal B.

Bethe ansatz approach to the Kondo effect within density-functional theory.

K. Burke, Zhen-Fei Liu, C. Stafford, 2012, Physical review letters.

Thermal stitching: Combining the advantages of different quantum fermion solvers

K. Burke, Justin C. Smith, 2018, Physical Review B.

Thermal stitching: Extending the reach of quantum fermion solvers

K. Burke, Justin C. Smith, 2018, 1801.01927.

Why semilocal functionals work: Accuracy of the on-top pair density and importance of system averaging

K. Burke, J. Perdew, M. Ernzerhof, 1998 .

UNAMBIGUOUS EXCHANGE-CORRELATION ENERGY DENSITY FOR HOOKE'S ATOM

Kieron Burke, K. Burke, Kin-Chung Lam, 1998 .

Semilocal Density Functionals for Exchange and Correlation : Theory and Applications

K. Burke, J. Perdew, M. Levy, 2022 .

Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem.

Kieron Burke, Aurora Pribram-Jones, K. Burke, 2015, Physical review letters.

Distributions and averages of electron density parameters: Explaining the effects of gradient corrections

Kieron Burke, John P. Perdew, K. Burke, 1997 .

Excitation energies from time-dependent density-functional theory beyond the adiabatic approximation.

K. Burke, C. Ullrich, 2004, The Journal of chemical physics.

Warming Up Density Functional Theory

Kieron Burke, Justin C. Smith, Francisca Sagredo, 2017, 1701.00873.

Reference electronic structure calculations in one dimension.

Kieron Burke, Steven R White, Lucas O Wagner, 2012, Physical chemistry chemical physics : PCCP.

Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation

Kieron Burke, Aurora Pribram-Jones, K. Burke, 2015, 1509.03097.

Explaining and Fixing DFT Failures for Torsional Barriers.

K. Burke, Eunji Sim, Seungsoo Nam, 2021, The journal of physical chemistry letters.

MAP: an MP2 accuracy predictor for weak interactions from adiabatic connection theory.

P. Gori-Giorgi, K. Burke, Stefan Vuckovic, 2020, Journal of chemical theory and computation.

Density functional analysis: The theory of density-corrected DFT.

K. Burke, Suhwan Song, Stefan Vuckovic, 2019, Journal of chemical theory and computation.

Halogen and Chalcogen Binding Dominated by Density-Driven Errors.

K. Burke, Suhwan Song, Eunji Sim, 2018, The journal of physical chemistry letters.

Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory.

K. Burke, J. Perdew, B. Santra, 2020, The Journal of chemical physics.

Fitting a round peg into a round hole: Asymptotically correcting the generalized gradient approximation for correlation.

K. Burke, Brandon T. Krull, Guo P Chen, 2018, The Journal of chemical physics.

Locality of correlation in density functional theory.

K. Burke, T. Gould, S. Pittalis, 2016, The Journal of chemical physics.

Electronic structure via potential functional approximations.

Kieron Burke, E K U Gross, Peter Elliott, 2011, Physical review letters.

Semiclassical origins of density functionals.

Kieron Burke, Peter Elliott, Attila Cangi, 2008, Physical review letters.

Corrections to Thomas-Fermi densities at turning points and beyond.

Kieron Burke, Peter Elliott, Attila Cangi, 2014, Physical review letters.

Nonlocal Density Functionals for Exchange and Correlation: Theory and Applications

K. Burke, J. Perdew, M. Levy, 1995 .

Thermal Corrections to Density Functional Simulations of Warm Dense Matter

Kieron Burke, Aurora Pribram-Jones, K. Burke, 2015 .

Long-range asymptotic behavior of ground-state wave functions, one-matrices, and pair densities

K. Burke, J. Perdew, M. Ernzerhof, 1996 .

Seven useful questions in density functional theory

K. Burke, A. Wasserman, Suhwan Song, 2022, Letters in Mathematical Physics.

Confirmation of the PPLB Derivative Discontinuity: Exact Chemical Potential at Finite Temperatures of a Model System.

K. Burke, Francisca Sagredo, 2020, Journal of chemical theory and computation.

Accurate double excitations from ensemble density functional calculations.

K. Burke, Francisca Sagredo, 2018, The Journal of chemical physics.

Can ensemble density functional theory yield accurate double excitations?

K. Burke, Francisca Sagredo, 2018, 1806.03392.

Exact conditions on the temperature dependence of density functionals

Kieron Burke, Aurora Pribram-Jones, Paul E. Grabowski, 2015, 1511.02194.

Coulomb blockade in Anderson junction without time-dependent density functional theory

K. Burke, Zhen-Fei Liu, 2015 .

DFT: A Theory Full of Holes?

Kieron Burke, Aurora Pribram-Jones, K. Burke, 2014, Annual review of physical chemistry.

Erratum: Guaranteed Convergence of the Kohn-Sham Equations [Phys. Rev. Lett. 111, 093003 (2013)]

K. Burke, S. White, Lucas Wagner, 2014 .

DFT in a nutshell

Kieron Burke, Lucas Wagner, K. Burke, 2013 .

Accuracy of density functionals for molecular electronics: The Anderson junction

K. Burke, Zhen-Fei Liu, C. Stafford, 2012, 1201.1310.

One-dimensional continuum electronic structure with the density-matrix renormalization group and its implications for density-functional theory.

Kieron Burke, Steven R White, Lucas O Wagner, 2011, Physical review letters.

Adiabatic connection for strictly correlated electrons.

K. Burke, Zhen-Fei Liu, 2009, The Journal of chemical physics.

Adiabatic connection in the low-density limit

K. Burke, Zhen-Fei Liu, 2009, 0903.1873.

The adiabatic connection method: a non-empirical hybrid

Kieron Burke, John P. Perdew, K. Burke, 1997 .

Nonexistence of a Taylor expansion in time due to cusps

K. Burke, Zeng-Hui Yang, 2013, 1308.4445.

Time-Dependent Density Functional Theory in Quantum Chemistry

K. Burke, F. Furche, 2005 .

Density functional theory of the electrical conductivity of molecular devices.

K. Burke, R. Car, R. Gebauer, 2005, Physical review letters.

Kondo effect given exactly by density functional theory

K. Burke, Zhen-Fei Liu, C. Stafford, 2011, 1106.3104.

Comment on Critique of the foundations of time-dependent density-functional theory

K. Burke, R. Leeuwen, N. Maitra, 2008 .

EXACT HIGH-DENSITY LIMIT OF CORRELATION POTENTIAL FOR TWO-ELECTRON DENSITY

K. Burke, M. Levy, Stanislav Ivanov, 1999 .

The quantum defect: the true measure of TDDFT results for atoms

K. Burke, M. V. Faassen, 2006 .

Erratum: Demonstration of initial-state dependence in time-dependent density-functional theory (Phys. Rev. A (2001) 63 (042501))

K. Burke, N. Maitra, 2001 .

Dissociation curves of diatomic molecules: A DC-DFT study

K. Burke, Eunji Sim, Min‐Cheol Kim, 2015 .

Density-Corrected DFT Explained: Questions and Answers.

K. Burke, Suhwan Song, Stefan Vuckovic, 2021, Journal of chemical theory and computation.

Nonlocality of the density functional for exchange and correlation: Physical origins and chemical consequences

Kieron Burke, John P. Perdew, K. Burke, 1998 .

A ug 2 01 4 DFT : A Theory Full of Holes ?

K. Burke, Aurora Pribram-Jones, D. Gross, 2014 .

VIRIAL EXCHANGE-CORRELATION ENERGY DENSITY IN HOOKE'S ATOM

Kieron Burke, K. Burke, Kin-Chung Lam, 1998 .

Time-dependent density functional theory of high excitations: to infinity, and beyond.

K. Burke, M. van Faassen, 2009, Physical chemistry chemical physics : PCCP.

Unambiguous exchange-correlation energy density

K. Burke, F. G. Cruz, Kin Lam, 1998 .

A dressed TDDFT treatment of the 21Ag states of butadiene and hexatriene

Fan Zhang, Kieron Burke, Robert J. Cave, 2004 .

Orbital-free functional with sub-milliHartree errors for slabs

K. Burke, A. Cancio, P. Okun, 2023, 2304.11115.

Kohn-Sham equations as regularizer: building prior knowledge into machine-learned physics

Ekin D. Cubuk, Stephan Hoyer, Kieron Burke, 2020, Physical review letters.

Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes.

K. Burke, A. Benali, O. Heinonen, 2018, Journal of chemical theory and computation.

Direct Extraction of Excitation Energies from Ensemble Density-Functional Theory.

K. Burke, C. Ullrich, Zeng-Hui Yang, 2017, Physical review letters.

Connection formulas for thermal density functional theory

Kieron Burke, Aurora Pribram-Jones, K. Burke, 2015, 1509.03060.

Potential Scaling in Density Functional Theory

K. Burke, P. Elliott, 2009, 0906.0340.

Relations between coordinate and potential scaling in the high-density limit.

K. Burke, T. K. Whittingham, 2005, The Journal of chemical physics.

Digging into the Exchange-Correlation Energy: The Exchange-Correlation Hole

K. Burke, 1998 .

COUPLING-CONSTANT DEPENDENCE OF ATOMIZATION ENERGIES

K. Burke, J. Perdew, M. Ernzerhof, 1997 .

On-Top Pair-Density Interpretation of Spin Density Functional Theory, with Applications to Magnetism

Kieron Burke, Andreas Savin, John P. Perdew, 1997 .

Semiclassics: The hidden theory behind the success of DFT

K. Burke, P. Okun, 2021, 2105.04384.

Non-empirical derivation of the parameter in the B88 exchange functional

K. Burke, P. Elliott, 2009 .

Response to comment

K. Burke, P. Okun, 2021, International Journal of Quantum Chemistry.

Calculation and interpretation of classical turning surfaces in solids

K. Burke, J. Perdew, S. Clark, 2021, npj Computational Materials.

Exchange-Correlation Energy Density from Virial Theorem

K. Burke, F. G. Cruz, Kin Lam, 1998 .

Leading Correction to the Local Density Approximation for Exchange in Large-Z Atoms.

K. Burke, N. Argaman, A. Cancio, 2022, Physical review letters.

Lieb's most useful contribution to density functional theory?

K. Burke, 2022, 2202.05361.

Leading correction to the local density approximation of the kinetic energy in one dimension.

K. Burke, 2020, The Journal of chemical physics.

Semiclassical quantization of truncated potentials

K. Burke, M. Berry, Michael V Berry, 2019, European Journal of Physics.

Learning to Approximate Density Functionals.

Ryan J. McCarty, K. Burke, Li Li, 2021, Accounts of chemical research.

Must Kohn-Sham oscillator strengths be accurate at threshold?

K. Burke, Zeng-Hui Yang, M. van Faassen, 2009, The Journal of chemical physics.

Almost exact exchange at almost no computational cost in electronic structure

K. Burke, E. Gross, P. Elliott, 2015 .

Potential functionals versus density functionals

K. Burke, E. Gross, A. Cangi, 2013, 1307.4235.

Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry.

Kieron Burke, Matthias Rupp, O Anatole von Lilienfeld, 2018, The Journal of chemical physics.

The Pair Density in Approximate Density Functionals: The Hidden Agent

K. Burke, N. Maitra, 2000 .

XMCD Analysis Beyond Standard Procedures

K. Burke, H. Appel, A. Scherz, 2007 .

Probing surface lattice dynamics with hyperthermal ion scattering

K. Burke, D. Goodstein, B. Cooper, 1994 .

Probing a cold surface with slow heavy-atom scattering: Experimental results and theoretical calculations

K. Burke, T. Andersson, S. Andersson, 2002 .

Gedanken densities and exact constraints in density functional theory.

Kieron Burke, Adrienn Ruzsinszky, Jianwei Sun, 2014, The Journal of chemical physics.

Density-Gradient Analysis for Density Functional Theory: Application to Atoms*

Kieron Burke, John P. Perdew, Mauro Causà, 1997 .

Polarizability of molecular chains: A self-interaction correction approach

Kieron Burke, Stefano Sanvito, Chaitanya Das Pemmaraju, 2008 .

Linear response time-dependent density functional theory of the Hubbard dimer

K. Burke, J. Ferrer, N. Maitra, 2018, The European Physical Journal B.

Excitations and benchmark ensemble density functional theory for two electrons.

Kieron Burke, Aurora Pribram-Jones, Richard J. Needs, 2014, The Journal of chemical physics.

Memory in time-dependent density functional theory.

Kieron Burke, Chris Woodward, K. Burke, 2002, Physical review letters.

Charge transfer in partition theory.

Kieron Burke, Roberto Car, Adam Wasserman, 2008, The journal of physical chemistry. A.

Density functional theory, the exchange hole, and the molecular bond

K. Burke, J. Perdew, M. Ernzerhof, 1996 .

Reassessing the role of exact conditions in density functional theory

K. Burke, Ryan Pederson, 2023, 2303.01766.

Generalized Gradient Approximation Made Simple.

Burke, K. Burke, J. Perdew, 1996, Physical review letters.

Topic on Data-enabled Theoretical Chemistry

M. Rupp, K. Burke, O. A. V. Lilienfeld, 2018 .

Efficient prediction of 3D electron densities using machine learning

Li Li, Kieron Burke, Klaus-Robert Muller, 2018, 1811.06255.

Generalized Gradient Approximation Made Simple.

K. Burke, J. Perdew, M. Ernzerhof, 1996, Physical review letters.

Classical turning surfaces in solids: When do they occur, and what do they mean?

University of California Irvine, K. Burke, S. Clark, 2020, 2007.01925.

Excitation energies from time-dependent density-functional theory.

Gross, K. Burke, M. Petersilka, 1996, Physical review letters.

Orbital-free functional with sub-milliHartree errors for slabs

K. Burke, A. Cancio, P. Okun, 2023, 2304.11115.

Leading corrections to local approximations II : The case with turning points

K. Burke, R. Ribeiro, 2016, 1611.00881.

Test of the validity of the gradient expansion for slowly-varying extended systems and coefficients of the sixth order for the KE in 1 d

John C. Snyder, K. Burke, Lucas Wagner, 2012 .

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

Wang, K. Burke, J. Perdew, 1996, Physical review. B, Condensed matter.

Exact Conditions for Ensemble Density Functional Theory

K. Burke, Aurora Pribram-Jones, Steven Crisostomo, 2023, 2307.00187.

Uncommonly accurate energies for the general quartic oscillator

K. Burke, P. Okun, 2020, International Journal of Quantum Chemistry.

Generalized Gradient Approximation Made Thermal

K. Burke, John Kozlowski, D. Perchak, 2023, 2308.03319.

Exquisitely accurate energies for the general quartic oscillator

K. Burke, P. Okun, 2020, 2007.04762.

Partition theory: a very simple illustration.

Kieron Burke, Adam Wasserman, K. Burke, 2007, The journal of physical chemistry. A.

Perspective on density functional theory.

K. Burke, 2012, The Journal of chemical physics.

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

K. Burke, J. Perdew, M. Ernzerhof, 1997 .

The Hubbard dimer: a density functional case study of a many-body problem

K. Burke, J. Ferrer, Justin C. Smith, 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

Non-empirical 'derivation' of B88 exchange functional

K. Burke, P. Elliott, 2009, 0902.1491.

Electronic structure from conditional probabilities

Ryan J. McCarty, K. Burke, S. White, 2020, 2007.01890.

Bypassing the Energy Functional in Density Functional Theory: Direct Calculation of Electronic Energies from Conditional Probability Densities.

Ryan J. McCarty, K. Burke, S. White, 2020, Physical review letters.

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

G. Scuseria, K. Burke, J. Perdew, 2009 .

Linear response time-dependent density functional theory of the Hubbard dimer

K. Burke, J. Ferrer, N. Maitra, 2018, The European Physical Journal B.

How Well Does Kohn-Sham Regularizer Work for Weakly Correlated Systems?

K. Burke, Li Li, Ryan Pederson, 2021, The journal of physical chemistry letters.

Measuring the kernel of time-dependent density functional theory with x-ray absorption spectroscopy of transition metals.

K. Burke, H. Appel, A. Scherz, 2005, Physical review letters.

Condition on the Kohn-Sham kinetic energy and modern parametrization of the Thomas-Fermi density.

K. Burke, J. Perdew, L. Constantin, 2008, The Journal of chemical physics.

Testing and using the Lewin-Lieb bounds in density functional theory

K. Burke, John P Kenison, D. Feinblum, 2014 .

Deriving uniform semiclassical approximations for one-dimensional fermionic systems.

K. Burke, R. Ribeiro, 2018, The Journal of chemical physics.

Lack of Hohenberg-Kohn theorem for excited states.

K. Burke, R Gaudoin, K Burke, 2004, Physical review letters.

Describing static correlation in bond dissociation by Kohn-Sham density functional theory.

K. Burke, M. Fuchs, X. Gonze, 2004, The Journal of chemical physics.

Electron Affinity in Approximate Density Functional Theory and the Role of Semiclassics in Orbital-Free Potential-Density Functional Theory

K. Burke, V. Mandelshtam, Craig Martens, 2010 .