[232]  Exchangecorrelation from Green's functions Steven Crisostomo, E.K.U Gross, and Kieron Burke, [supplementary information]

[231]  Investigations of the exchange energy of neutral atoms in the largeZ limit Redd, Jeremy J., Cancio, Antonio C., Argaman, Nathan and Burke, Kieron, The Journal of Chemical Physics 160, 044101 (2024).

[230]  Generalized Gradient Approximation Made Thermal John Kozlowski, Dennis Perchak and Kieron Burke, (2023). [supplementary information]

[229]  DCDFT for Open Shells: How to Deal with Spin Contamination Hayoung Yu, Suhwan Song, Seungsoo Nam, Kieron Burke and Eunji Sim, The Journal of Physical Chemistry Letters 14, 92309237 (2023).

[228]  Exact Conditions for Ensemble Density Functional Theory Thais R. Scott, John Kozlowski, Steven Crisostomo, Aurora PribramJones and Kieron Burke, Accepted to PRB; Editors' Suggestion (2023). [supplementary information]

[227]  Orbitalfree functional with submilliHartree errors for slabs Pavel Okun, Antonio C. Cancio and Kieron Burke, Accepted to PRB (2023).

[226]  The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory Ryan Pederson and Kieron Burke, The Journal of Chemical Physics 159, 214113 (2023). [supplementary information]

[225]  Extending density functional theory with near chemical accuracy beyond pure water Suhwan Song, Stefan Vuckovic, Youngsam Kim, Hayoung Yu, Eunji Sim, and Kieron Burke, Nature Communications 14, 799 (2023).

[224]  Seven Useful Questions in Density Functional Theory Steven Crisostomo, Ryan Pederson, John Kozlowski, Bhupalee Kalita, Antonio C. Cancio, Kiril Datchev, Adam Wasserman, Suhwan Song, and Kieron Burke, Letters in Mathematical Physics 113, 42 (2023).

[223]  Can the HartreeFock kinetic energy exceed the exact kinetic energy? Steven Crisostomo, Mel Levy, and Kieron Burke, The Journal of Chemical Physics 157, 154106 (2022).

[222]  Machine learning and density functional theory Ryan Pederson, Bhupalee Kalita, and Kieron Burke, Nature Reviews Physics (2022).

[221]  Asymptotics of eigenvalue sums when some turning points are complex Pavel Okun and Kieron Burke, Journal of Physics A: Mathematical and Theoretical 55, 394003 (2022). [supplementary information]

[220]  Leading correction to the local density approximation for exchange in largeZ atoms Nathan Argaman, Jeremy Redd, Antonio C. Cancio, and Kieron Burke, Phys. Rev. Lett. 129, 153001 (2022). [supplementary information]

[219]  Conditional probability density functional theory Ryan Pederson, Jielun Chen, Steven R. White, and Kieron Burke, Phys. Rev. B 105, 245138 (2022).

[218]  Improving Results by Improving Densities: DensityCorrected Density Functional Theory Eunji Sim, Suhwan Song, Stefan Vuckovic, and Kieron Burke, Journal of the American Chemical Society 144, 66256639 (2022).

[217]  Lieb’s most useful contribution to density functional theory? Kieron Burke, Chapter in Book in honor of Elliott Lieb’s 90th birthday (2022).

[216]  Correlation energy of the uniform gas determined by ground state conditional probability density functional theory Dennis Perchak, Ryan J. McCarty, and Kieron Burke, Phys. Rev. B 105, 165143 (2022).

[215]  How Well Does Kohn–Sham Regularizer Work for Weakly Correlated Systems? Bhupalee Kalita, Ryan Pederson, Jielun Chen, Li Li, and Kieron Burke, The Journal of Physical Chemistry Letters 13, 25402547 (2022).

[214]  Using Machine Learning to Find New Density Functionals Bhupalee Kalita and Kieron Burke, Article in Roadmap on Machine Learning in Electronic Structure 4, 5659 (2022).

[213]  DensityCorrected DFT Explained: Questions and Answers Suhwan Song, Stefan Vuckovic, Eunji Sim, and Kieron Burke, Journal of Chemical Theory and Computation 18, 817827 (2022).

[212]  Lies My Teacher Told Me About Density Functional Theory: Seeing Through Them with the Hubbard Dimer Kieron Burke and John Kozlowski, Chapter in Simulating Correlations with Computers 6596 (2021).

[211]  Semiclassics: The hidden theory behind the success of DFT Pavel Okun and Kieron Burke, Chapter in Density Functionals for ManyParticle Systems (2023).

[210]  Explaining and Fixing DFT Failures for Torsional Barriers Seungsoo Nam, Eunbyol Cho, Eunji Sim, and Kieron Burke, The Journal of Physical Chemistry Letters 12, 27962804 (2021).

[209]  Learning to Approximate Density Functionals Bhupalee Kalita, Li Li, Ryan J. McCarty, and Kieron Burke, Accounts of Chemical Research 54, 818826 (2021).

[208]  Density Sensitivity of Empirical Functionals Suhwan Song, Stefan Vuckovic, Eunji Sim, and Kieron Burke, The Journal of Physical Chemistry Letters 12, 800807 (2021). (PMID: 33411542)

[207]  Retrospective on a decade of machine learning for chemical discovery O. Anatole von Lilienfeld and Kieron Burke, Nature Communications 11, 4895 (2020).

[206]  KohnSham Equations as Regularizer: Building Prior Knowledge into MachineLearned Physics Li Li, Stephan Hoyer, Ryan Pederson, Ruoxi Sun, Ekin D. Cubuk, Patrick Riley, and Kieron Burke, Phys. Rev. Lett. 126, 036401 (2021).

[205]  Quantifying and Understanding Errors in Molecular Geometries Stefan Vuckovic and Kieron Burke, The Journal of Physical Chemistry Letters 11, 99579964 (2020). (PMID: 33170683) [supplementary information]

[204]  Confirmation of the PPLB Derivative Discontinuity: Exact Chemical Potential at Finite Temperatures of a Model System Francisca Sagredo and Kieron Burke, Journal of Chemical Theory and Computation 16, 72257231 (2020). (PMID: 33237784)

[203]  Calculation and interpretation of classical turning surfaces in solids Aaron D. Kaplan, Stewart J. Clark, Kieron Burke, and John P. Perdew, npj Computational Materials 7, 20573960 (2021).

[202]  Bypassing the Energy Functional in Density Functional Theory: Direct Calculation of Electronic Energies from Conditional Probability Densities Ryan J. McCarty, Dennis Perchak, Ryan Pederson, Robert Evans, Yiheng Qiu, Steven R. White, and Kieron Burke, Phys. Rev. Lett. 125, 266401 (2020).

[201]  Uncommonly accurate energies for the general quartic oscillator Pavel Okun and Kieron Burke, International Journal of Quantum Chemistry 121, e26554 (2021). [supplementary information]

[200]  Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory Aaron D. Kaplan, Biswajit Santra, Puskar Bhattarai, Kamal Wagle, Shah Tanvir ur Rahman Chowdhury, Pradeep Bhetwal, Jie Yu, Hong Tang, Kieron Burke, Mel Levy, and John P. Perdew, The Journal of Chemical Physics 153, 074114 (2020).

[199]  Deriving approximate functionals with asymptotics Kieron Burke, Faraday Discuss. 224, 98125 (2020).

[198]  Measuring DensityDriven Errors Using Kohn–Sham Inversion Seungsoo Nam, Suhwan Song, Eunji Sim, and Kieron Burke, Journal of Chemical Theory and Computation 16, 50145023 (2020). (PMID: 32667787)

[197]  MAP: An MP2 Accuracy Predictor for Weak Interactions from Adiabatic Connection Theory Stefan Vuckovic, Eduardo Fabiano, Paola GoriGiorgi, and Kieron Burke, Journal of Chemical Theory and Computation 16, 41414149 (2020). (PMID: 32379454)

[196]  Exact and approximate energy sums in potential wells Michael V. Berry and Kieron Burke, Journal of Physics A: Mathematical and Theoretical 53, 095203 (2020).

[195]  Leading correction to the local density approximation of the kinetic energy in one dimension Kieron Burke, The Journal of Chemical Physics 152, 081102 (2020).

[194]  Density Functional Analysis: The Theory of DensityCorrected DFT Stefan Vuckovic, Suhwan Song, John Kozlowski, Eunji Sim, and Kieron Burke, Journal of Chemical Theory and Computation 15, 66366646 (2019). (PMID: 31682433)

[193]  Semiclassical quantization of truncated potentials Michael V. Berry and Kieron Burke, Eur. J. Phys. 40, 065403 (2019).

[192]  Quantum chemical accuracy from density functional approximations via machine learning Mihail Bogojeski, Leslie VogtMaranto, Mark E. Tuckerman, KlausRobert Müller, and Kieron Burke, Nature Communications 11, 5223 (2020).

[191]  Halogen and Chalcogen Binding Dominated by DensityDriven Errors Yeil Kim, Suhwan Song, Eunji Sim, and Kieron Burke, The Journal of Physical Chemistry Letters 10, 295301 (2019).

[190]  Efficient prediction of 3D electron densities using machine learning Mihail Bogojeski, Felix Brockherde, Leslie VogtMaranto, Li Li, Mark E. Tuckerman, Kieron Burke, and KlausRobert Müller, Advances in neural information processing systems, Workshop on machine learning for molecules and materials (2018).

[189]  Quantifying Density Errors in DFT Eunji Sim, Suhwan Song, and Kieron Burke, The Journal of Physical Chemistry Letters 9, 63856392 (2018). (PMID: 30335392)

[188]  Accurate double excitations from ensemble density functional calculations Francisca Sagredo and Kieron Burke, The Journal of Chemical Physics 149, 134103 (2018).

[187]  Guest Editorial: Special Topic on DataEnabled Theoretical Chemistry Matthias Rupp, O. Anatole von Lilienfeld, and Kieron Burke, The Journal of Chemical Physics 148, 241401 (2018).

[186]  Recent Developments in Density Functional Approximations Li Li and Kieron Burke, Chapter in Handbook of Materials Modeling : Methods: Theory and Modeling 1–14 (2018).

[185]  Linear response timedependent density functional theory of the Hubbard dimer Diego J. Carrascal, Jaime Ferrer, Neepa Maitra, and Kieron Burke, The European Physical Journal B 91, 142 (2018).

[184]  Can exact conditions improve machinelearned density functionals? Jacob Hollingsworth, Li Li (李力), Thomas E. Baker, and Kieron Burke, The Journal of Chemical Physics 148, 241743 (2018).

[183]  Fitting a round peg into a round hole: Asymptotically correcting the generalized gradient approximation for correlation Antonio Cancio, Guo P. Chen, Brandon T. Krull, and Kieron Burke, The Journal of Chemical Physics 149, 084116 (2018).

[182]  Thermal stitching: Combining the advantages of different quantum fermion solvers Justin C. Smith and Kieron Burke, Phys. Rev. B 98, 075148 (2018).

[181]  Accurate correlation energies in onedimensional systems from small systemadapted basis functions Thomas E. Baker, Kieron Burke, and Steven R. White, Phys. Rev. B 97, 085139 (2018).

[180]  Benchmarks and Reliable DFT Results for Spin Gaps of Small Ligand Fe(II) Complexes Suhwan Song, MinCheol Kim, Eunji Sim, Anouar Benali, Olle Heinonen, and Kieron Burke, Journal of Chemical Theory and Computation 14, 23042311 (2018). (PMID: 29614856)

[179]  Direct Extraction of Excitation Energies from Ensemble DensityFunctional Theory Yang, Zenghui, PribramJones, Aurora, Burke, Kieron and Ullrich, Carsten A., Phys. Rev. Lett. 119, 033003 (2017). [supplementary information]

[178]  Warming Up Density Functional Theory Smith, Justin C., Sagredo, Francisca and Burke, Kieron, Chapter in Frontiers of Quantum Chemistry 249–271 (2018).

[177]  Leading corrections to local approximations. II. The case with turning points Ribeiro, Raphael F. and Burke, Kieron, Phys. Rev. B 95, 115115 (2017).

[176]  Understanding band gaps of solids in generalized KohnSham theory Perdew, John P., Yang, Weitao, Burke, Kieron, Yang, Zenghui, Gross, Eberhard K. U., Scheffler, Matthias, Scuseria, Gustavo E., Henderson, Thomas M., Zhang, Igor Ying, Ruzsinszky, Adrienn, Peng, Haowei, Sun, Jianwei, Trushin, Egor and Görling, Andreas, Proceedings of the National Academy of Sciences 114, 28012806 (2017).

[175]  Pure density functional for strong correlation and the thermodynamic limit from machine learning Li, Li, Baker, Thomas E., White, Steven R. and Burke, Kieron, Phys. Rev. B 94, 245129 (2016).

[174]  Bypassing the KohnSham equations with machine learning Brockherde, Felix, Vogt, Leslie, Li ,Li, Tuckerman, Mark E, Burke, Kieron and Muller, KlausRobert, Nature Communications 8, 872 (2017). [supplementary information]

[173]  The Importance of Being Inconsistent Wasserman, Adam, Nafziger, Jonathan, Jiang, Kaili, Kim, MinCheol, Sim, Eunji and Burke, Kieron, Annual Review of Physical Chemistry 68, 555581 (2017). (PMID: 28463652)

[172]  Exact conditions on the temperature dependence of density functionals Burke, K., Smith, J. C., Grabowski, P. E. and PribramJones, A., Phys. Rev. B 93, 195132 (2016).

[171]  Accurate atomic quantum defects from particle–particle random phase approximation Yang Yang, Kieron Burke and Weitao Yang, Molecular Physics 114, 11891198 (2016).

[170]  Deriving uniform semiclassical approximations for onedimensional fermionic systems Ribeiro,Raphael F. and Burke,Kieron, The Journal of Chemical Physics 148, 194103 (2018).

[169]  Thermal Density Functional Theory: TimeDependent Linear Response and Approximate Functionals from the FluctuationDissipation Theorem PribramJones, Aurora, Grabowski, Paul E. and Burke, Kieron, Phys. Rev. Lett. 116, 233001 (2016).

[168]  Connection formula for thermal density functional theory PribramJones, Aurora and Burke, Kieron, Phys. Rev. B 93, 205140 (2016).

[167]  Exact thermal density functional theory for a model system: Correlation components and accuracy of the zerotemperature exchangecorrelation approximation Smith, J. C., PribramJones, A. and Burke, K., Phys. Rev. B 93, 245131 (2016).

[166]  Improved DFT Potential Energy Surfaces via Improved Densities Kim, MinCheol, Park, Hansol, Son, Suyeon, Sim, Eunji and Burke, Kieron, The Journal of Physical Chemistry Letters 6, 38023807 (2015). (PMID: 26722874)

[165]  Nonlinear gradient denoising: Finding accurate extrema from inaccurate functional derivatives Snyder, John C., Rupp, Matthias, Müller, KlausRobert and Burke, Kieron, International Journal of Quantum Chemistry 115, 11021114 (2015).

[164]  Onedimensional mimicking of electronic structure: The case for exponentials Baker, Thomas E., Stoudenmire, E. Miles, Wagner, Lucas O., Burke, Kieron and White, Steven R., Phys. Rev. B 91, 235141 (2015). [data] [summary]

[163]  Density functional description of Coulomb blockade: Adiabatic versus dynamic exchange correlation Liu, ZhenFei and Burke, Kieron, Phys. Rev. B 91, 245158 (2015).

[162]  The Hubbard dimer: a density functional case study of a manybody problem D J Carrascal, J Ferrer, J C Smith and K Burke, Journal of Physics: Condensed Matter 27, 393001 (2015).

[161]  Understanding kernel ridge regression: Common behaviors from simple functions to density functionals Vu, Kevin, Snyder, John C., Li, Li, Rupp, Matthias, Chen, Brandon F., Khelif, Tarek, Müller, KlausRobert and Burke, Kieron, International Journal of Quantum Chemistry 115, 11151128 (2015).

[160]  Communication: Testing and using the LewinLieb bounds in density functional theory Feinblum, David V., Kenison, John and Burke, Kieron, The Journal of Chemical Physics 141, 241105 (2014).

[159]  Corrections to ThomasFermi Densities at Turning Points and Beyond Ribeiro, Raphael F., Lee, Donghyung, Cangi, Attila, Elliott, Peter and Burke, Kieron, Phys. Rev. Lett. 114, 050401 (2015).

[158]  Locality of correlation in density functional theory Burke,Kieron, Cancio,Antonio, Gould,Tim and Pittalis,Stefano, The Journal of Chemical Physics 145, 054112 (2016).

[157]  Almost exact exchange at almost no computational cost in electronic structure Elliott, Peter, Cangi, Attila, Pittalis, Stefano, Gross, E. K. U. and Burke, Kieron, Phys. Rev. A 92, 022513 (2015).

[156]  Quantum critical benchmark for electronic structure theory Grabowski, Paul E. and Burke, Kieron, Phys. Rev. A 91, 032501 (2015).

[155]  DFT: A Theory Full of Holes? PribramJones, Aurora, Gross, David A. and Burke, Kieron, Annual Review of Physical Chemistry 66, 283304 (2015). (PMID: 25830374)

[154]  KohnSham calculations with the exact functional Wagner, Lucas O., Baker, Thomas E., Stoudenmire, E.,M., Burke, Kieron and White, Steven R., Phys. Rev. B 90, 045109 (2014).

[153]  Understanding machinelearned density functionals Li, Li, Snyder, John C., Pelaschier, Isabelle M., Huang, Jessica, Niranjan, UmaNaresh, Duncan, Paul, Rupp, Matthias, Müller, KlausRobert and Burke, Kieron, International Journal of Quantum Chemistry 116, 819833 (2016).

[152]  Gedanken densities and exact constraints in density functional theory Perdew, John P., Ruzsinszky, Adrienn, Sun, Jianwei and Burke, Kieron, The Journal of Chemical Physics 140, (2014).

[151]  Excitations and benchmark ensemble density functional theory for two electrons PribramJones, Aurora, Yang, Zenghui, Trail, John R., Burke, Kieron, Needs, Richard J. and Ullrich, Carsten A., The Journal of Chemical Physics 140, (2014). [supplementary information]

[150]  Exact and approximate KohnSham potentials in ensemble densityfunctional theory Yang, Zenghui, Trail, John R., PribramJones, Aurora, Burke, Kieron, Needs, Richard J. and Ullrich, Carsten A., Phys. Rev. A 90, 042501 (2014).

[149]  Ions in solution: Density corrected density functional theory (DCDFT) Kim, MinCheol, Sim, Eunji and Burke, Kieron, The Journal of Chemical Physics 140, 18A528 (2014).

[148]  Thermal Density Functional Theory in Context PribramJones, Aurora, Pittalis, Stefano, Gross, E. K. U., Burke, Kieron, Chapter in Frontiers and Challenges in Warm Dense Matter 25–60 (2014).

[147]  Nonexistence of a Taylor expansion in time due to cusps Zenghui Yang and Kieron Burke, Phys. Rev. A 88, 042514 (2013).

[146]  Potential functionals versus density functionals Attila Cangi, E. K. U. Gross and Kieron Burke, Phys. Rev. A 88, 062505 (2013).

[145]  Comment on “Application of partition densityfunctional theory to onedimensional models” Elliott, Peter, Jensen, Daniel, Wasserman, Adam and Burke, Kieron, Phys. Rev. A 89, 026501 (2014).

[144]  Orbitalfree Bond Breaking via Machine Learning John C. Snyder, Matthias Rupp, Katja Hansen, Leo Blooston, KlausRobert Müller and Kieron Burke, J. Chem. Phys. 139, 224104 (2013).

[143]  Guaranteed Convergence of the KohnSham Equations Wagner, Lucas O., Stoudenmire, E. M., Burke, Kieron and White, Steven R., Phys. Rev. Lett. 111, 093003 (2013).

[142]  Kernels, Preimages and Optimization Snyder, John C., Mika, Sebastian, Burke, Kieron, Müller, KlausRobert, Chapter in Empirical Inference: Festschrift in Honor of Vladimir N. Vapnik 245–259 (2013).

[141]  Understanding and reducing errors in density functional calculations MinCheol Kim, Eunji Sim and Kieron Burke, Phys. Rev. Lett. 111, 073003 (2013). [supplementary information]

[140]  Reference electronic structure calculations in one dimension Lucas O. Wagner, E.M. Stoudenmire, Kieron Burke and Steven R. White, Phys. Chem. Chem. Phys. 14, 8581  8590 (2012).

[139]  Perspective on density functional theory K. Burke, J. Chem. Phys. 136, 150901 (2012).

[138]  Accuracy of density functionals for molecular electronics: the Anderson junction Z.F. Liu, J. P. Bergfield, K. Burke and C. A. Stafford, Phys. Rev. B 85, 155117 (2012).

[137]  Finding Density Functionals with Machine Learning Snyder, John C., Rupp, Matthias, Hansen, Katja, Müller, KlausRobert and Burke, Kieron, Phys. Rev. Lett. 108, 253002 (2012). [supplementary information]

[136]  DFT in a nutshell Kieron Burke and Lucas O. Wagner, Int. J. Quant. Chem. 113, 96101 (2013).

[135]  The effect of cusps in timedependent quantum mechanics Zenghui Yang, Neepa T. Maitra and Kieron Burke, Phys. Rev. Lett. 108, 063003 (2012).

[134]  Exact conditions in finite temperature density functional theory S. Pittalis, C. R. Proetto, A. Floris, A. Sanna, C. Bersier, Kieron Burke and E. K. U. Gross, Phys. Rev. Lett. 107, (2011).

[133]  OneDimensional Continuum Electronic Structure with the DensityMatrix Renormalization Group and Its Implications for DensityFunctional Theory E.M. Stoudenmire, Lucas O. Wagner, Steven R. White and Kieron Burke, Phys. Rev. Lett. 109, 056402 (2012).

[132]  Bethe Ansatz approach to the Kondo effect within densityfunctional theory J. P. Bergfield, Z.F. Liu, Kieron Burke and C. A. Stafford, Phys. Rev. Lett. 108, 066801 (2012).

[131]  Communication: Avoiding unbound anions in density functional calculations MinCheol Kim, Eunji Sim and Kieron Burke, J. Chem. Phys. 134, 171103 (2011).

[130]  Electronic Structure via Potential Functional Approximations Cangi, Attila, Lee, Donghyung, Elliott, Peter, Kieron Burke and E. K. U. Gross, Phys. Rev. Lett. 106, 236404 (2011).

[129]  Exact conditions and their relevance in TDDFT Lucas O. Wagner, Zenghui Yang and Kieron Burke, Chapter in Fundamentals of TimeDependent Density Functional Theory 101122 (2012).

[128]  Communication: Ionization potentials in the limit of large atomic number Lucian A. Constantin, John C. Snyder, John P. Perdew and Kieron Burke, The Journal of Chemical Physics 133, 241103 (2010).

[127]  Finding electron affinities with approximate density functionals Lee, Donghyung and Burke, Kieron, Molecular Physics 108, 26872701 (2010).

[126]  Accuracy of Electron Affinities of Atoms in Approximate Density Functional Theory Lee, Donghyung, Furche, Filipp and Kieron Burke, J. Phys. Chem. Lett. 1, 21242129 (2010).

[125]  Leading corrections to local approximations Cangi, Attila, Lee, Donghyung, Elliott, Peter and Kieron Burke, Phys. Rev. B 81, 235128 (2010).

[124]  Densitypotential mapping in timedependent densityfunctional theory Maitra, N. T., Todorov, T. N., Woodward, Chris and Kieron Burke, Phys. Rev. A 81, 042525 (2010).

[123]  Adiabatic connection for strictly correlated electrons Z.F. Liu and K. Burke, J. Chem. Phys. 131, 124124 (2009).

[122]  Potential scaling in density functional theory Elliott, Peter and Kieron Burke, (2009).

[121]  Must KohnSham oscillator strengths be accurate at threshold? Zenghui Yang, Meta van Faassen and Kieron Burke, J. Chem. Phys. 131, 114308 (2009).

[120]  Adiabatic connection in the lowdensity limit Z.F. Liu and K. Burke, Phys. Rev. A 79, 064503 (2009).

[119]  Density Functional Partition Theory with Fractional Occupations Elliott, Peter, Cohen, Morrel H., Wasserman, Adam and Kieron Burke, Journal of Chemical Theory and Computation 5, 827833 (2009).

[118]  Nonempirical derivation of the parameter in the B88 exchange functional Elliott, Peter and Kieron Burke, Canadian Journal of Chemistry 87, 14851491 (2009).

[117]  Timedependent density functional theory of high excitations: to infinity, and beyond Meta van Faassen and Kieron Burke, Phys. Chem. Chem. Phys. 11, 44374450 (2009).

[116]  Partition densityfunctional theory Elliott, Peter, Kieron Burke, Cohen, Morrel H. and Wasserman, Adam, Phys. Rev. A 82, 024501 (2010).

[115]  Which functional should I choose? D. Rappoport, N. R. M. Crawford, Furche, Filipp and Kieron Burke, Chapter in Computational Inorganic and Bioinorganic Chemistry (2009).

[114]  Perdew et al. Reply John P. Perdew, Ruzsinszky, Adrienn, Csonka, Gábor I., Vydrov, Oleg A., Scuseria, Gustavo E., Lucian A. Constantin, Zhou, Xiaolan and Kieron Burke, Phys. Rev. Lett. 101, 239702 (2008). (Mattsson's comment (Phys. Rev. Lett. 101, 239701 (2008)))

[113]  Condition on the KohnSham kinetic energy and modern parametrization of the ThomasFermi density Lee, Donghyung, Lucian A. Constantin, John P. Perdew and Kieron Burke, J. Chem. Phys. 130, 034107 (2009).

[112]  Charge Transfer in Partition Theory\textdagger Cohen, Morrel H., Wasserman, Adam, Car, Roberto and Kieron Burke, The Journal of Physical Chemistry A 113, 21832192 (2009). (PMID: 19215125)

[111]  Semiclassical Origins of Density Functionals Elliott, Peter, Lee, Donghyung, Cangi, Attila and Kieron Burke, Phys. Rev. Lett. 100, 256406 (2008).

[110]  Comment on Critique of the foundations of timedependent densityfunctional theory Neepa T. Maitra, van Leeuwen, Robert and Kieron Burke, Phys. Rev. A 78, 056501 (2008).

[109]  Polarizability of molecular chains: A selfinteraction correction approach Pemmaraju, C. D., Sanvito, S. and Kieron Burke, Phys. Rev. B 77, 121204 (2008).

[108]  Restoring the DensityGradient Expansion for Exchange in Solids and Surfaces John P. Perdew, Ruzsinszky, Adrienn, Csonka, Gábor I., Vydrov, Oleg A., Scuseria, Gustavo E., Lucian A. Constantin, Zhou, Xiaolan and Kieron Burke, Phys. Rev. Lett. 100, 136406 (2008). [supplementary information]

[107]  Partition Theory: A Very Simple Illustration\textdagger Cohen, Morrel H., Wasserman, Adam and Kieron Burke, The Journal of Physical Chemistry A 111, 1244712453 (2007). (PMID: 18052308)

[106]  TimeDependent Density Functional Calculation of eH Scattering Meta van Faassen, Wasserman, Adam, Eberhard Engel, Fan Zhang and Kieron Burke, Phys. Rev. Lett. 99, 043005 (2007).

[105]  Comment on "Analysis of Floquet formulation of timedependent densityfunctional theory" [Chem. Phys. Lett. 433 (2006) 204] Neepa T. Maitra and Kieron Burke, Chemical Physics Letters 441, 167  169 (2007).

[104]  XMCD analysis beyond standard procedures Wende, H., Scherz, A., Sorg, C., Baberschke, K., E. K. U. Gross, Appel, H., Kieron Burke, J. Minár, H. Ebert, A.L. Ankudinov and J.J. Rehr, Chapter in Xray Absorption Fine Structure  XAFS13 78 (2007).

[103]  Density functional calculations of nanoscale conductance Koentopp, Max, Connie Chang, Kieron Burke and Car, Roberto, Journal of Physics: Condensed Matter 20, 083203 (2008).

[102]  Excited states from timedependent density functional theory Elliott, Peter, Furche, Filipp and Kieron Burke, Chapter in Reviews in Computational Chemistry 91165 (2009).

[101]  Pride, Prejudice, and Penury of ab initio transport calculations for single molecules Evers, Ferdinand and Kieron Burke, Chapter in Nano and Molecular Electronics Handbook 241 (2007).

[100]  A new challenge for timedependent density functional theory Meta van Faassen and Kieron Burke, Chemical Physics Letters 431, 410  414 (2006).

[099]  Relevance of the Slowly Varying Electron Gas to Atoms, Molecules, and Solids John P. Perdew, Lucian A. Constantin, Sagvolden, Espen and Kieron Burke, Phys. Rev. Lett. 97, 223002 (2006).

[098]  The quantum defect: The true measure of timedependent densityfunctional results for atoms Meta van Faassen and Kieron Burke, J. Chem. Phys. 124, 094102 (2006).

[097]  Doublepole approximation in timedependent density functional theory Appel, H., E. K. U. Gross and Kieron Burke, International Journal of Quantum Chemistry 106, 28402847 (2006).

[096]  TimeDependent Density Functional Theory in Quantum Chemistry Furche, Filipp and Kieron Burke, Chapter in Annual Reports in Computational Chemistry 1, 19  30 (2005).

[095]  Measuring the Kernel of TimeDependent Density Functional Theory with XRay Absorption Spectroscopy of $3d$ Transition Metals Scherz, A., E. K. U. Gross, Appel, H., Sorg, C., Baberschke, K., Wende, H. and Kieron Burke, Phys. Rev. Lett. 95, 253006 (2005).

[094]  SelfInteraction Errors in DensityFunctional Calculations of Electronic Transport Toher, C., Filippetti, A., Sanvito, S. and Kieron Burke, Phys. Rev. Lett. 95, 146402 (2005).

[093]  Scattering Amplitudes Wasserman, A. and Burke, K., Article in TimeDependent Density Functional Theory 706, 493505 (2006).

[092]  KohnSham master equation approach to transport through single molecules Ralph Gebauer, Kieron Burke and Car, Roberto, Chapter in Lecture Notes in Physics 706, 463 (2006).

[091]  Basics of TDDFT E. K. U. Gross and Kieron Burke, Chapter in Lecture Notes in Physics 706, 1 (2006).

[090]  Exact Conditions Kieron Burke, Chapter in Lecture Notes in Physics 706, 181 (2006).

[089]  Rydberg Transition Frequencies from the Local Density Approximation Wasserman, Adam and Kieron Burke, Phys. Rev. Lett. 95, 163006 (2005).

[088]  Coordinate scaling in timedependent currentdensityfunctional theory Dion, Maxime and Kieron Burke, Phys. Rev. A 72, 020502 (2005).

[087]  Zerobias molecular electronics: Exchangecorrelation corrections to Landauer\textquoterights formula Koentopp, Max, Kieron Burke and Evers, Ferdinand, Phys. Rev. B 73, 121403 (2006).

[086]  Describing static correlation in bond dissociation by KohnSham density functional theory M. Fuchs, Y.M. Niquet, X. Gonze and Kieron Burke, J. Chem. Phys. 122, 094116 (2005).

[085]  Density Functional Theory of the Electrical Conductivity of Molecular Devices Kieron Burke, Car, Roberto and Ralph Gebauer, Phys. Rev. Lett. 94, 146803 (2005).

[084]  Timedependent density functional theory: Past, present, and future Kieron Burke, Jan Werschnik and E. K. U. Gross, J. Chem. Phys. 123, 062206 (2005).

[083]  Relations between coordinate and potential scaling in the highdensity limit Takeyce K. Whittingham and Kieron Burke, J. Chem. Phys. 122, 134108 (2005).

[082]  Lack of HohenbergKohn Theorem for Excited States R. Gaudoin and Kieron Burke, Phys. Rev. Lett. 93, 173001 (2004).

[081]  Excitation energies from timedependent densityfunctional theory beyond the adiabatic approximation C. A. Ullrich and Kieron Burke, J. Chem. Phys. 121, 2835 (2004).

[080]  Densityfunctional theory in one dimension for contactinteracting fermions R.J. Magyar and Kieron Burke, Phys. Rev. A 70, 032508 (2004).

[079]  A dressed TDDFT treatment of the 21Ag states of butadiene and hexatriene Robert J. Cave, Fan Zhang, Neepa T. Maitra and Kieron Burke, Chemical Physics Letters 389, 39  42 (2004).

[078]  Continuum states from timedependent density functional theory Wasserman, Adam, Neepa T. Maitra and Kieron Burke, J. Chem. Phys. 122, 144103 (2005).

[077]  Adiabatic connection for near degenerate excited states Fan Zhang and Kieron Burke, Phys. Rev. A 69, 052510 (2004).

[076]  Design of a GratingBased ThinFilm Filter for Broadband Spectropolarimetry Donghyun Kim and Kieron Burke, Appl. Opt. 42, 63216326 (2003).

[075]  Rules for minimal atomic multipole expansion of molecular fields E. V. Tsiper and Kieron Burke, J. Chem. Phys. 120, 11531156 (2004).

[074]  Accurate Rydberg Excitations from the Local Density Approximation Wasserman, Adam, Neepa T. Maitra and Kieron Burke, Phys. Rev. Lett. 91, 263001 (2003).

[073]  Double excitations within timedependent density functional theory linear response Neepa T. Maitra, Fan Zhang, Robert J. Cave and Kieron Burke, J. Chem. Phys. 120, 59325937 (2004).

[072]  Comment on \textquoteleft\textquoteleftTotal Energy Method from ManyBody Formulation\textquoteright\textquoteright M. Fuchs, Kieron Burke, Y.M. Niquet and X. Gonze, Phys. Rev. Lett. 90, 189701 (2003).

[071]  Accurate adiabatic connection curve beyond the physical interaction strength R.J. Magyar, William M. Terilla and Kieron Burke, J. Chem. Phys. 119, 696700 (2003).

[070]  Testing the kinetic energy functional: Kinetic energy density as a density functional Eunji Sim, Joe Larkin, Kieron Burke and Charles W. Bock, J. Chem. Phys. 118, 81408148 (2003).

[069]  Currentdensity functional theory of the response of solids Neepa T. Maitra, Souza, Ivo and Kieron Burke, Phys. Rev. B 68, 045109 (2003).

[068]  Excitations in TimeDependent DensityFunctional Theory Appel, H., E. K. U. Gross and Kieron Burke, Phys. Rev. Lett. 90, 043005 (2003).

[067]  What is timedependent density functional theory? Successes and Challenges Maitra, N. T., Wasserman, Adam and Kieron Burke, Chapter in Electron Correlations and Materials Properties 2 285 (2003).

[066]  Theoretical Investigation of the Ground and Excited States of Coumarin 151 and Coumarin 120 Robert J. Cave, Kieron Burke and Castner, Edward W., The Journal of Physical Chemistry A 106, 92949305 (2002).

[065]  Scaling the spin densities separately in densityfunctional theory R.J. Magyar, Takeyce K. Whittingham and Kieron Burke, Phys. Rev. A 66, 022105 (2002).

[064]  On the Floquet formulation of timedependent density functional theory Neepa T. Maitra and Kieron Burke, Chemical Physics Letters 359, 237  240 (2002).

[063]  Memory in TimeDependent Density Functional Theory Neepa T. Maitra, Kieron Burke and Woodward, Chris, Phys. Rev. Lett. 89, 023002 (2002).

[062]  Correlation in timedependent densityfunctional theory Paul Hessler, Neepa T. Maitra and Kieron Burke, J. Chem. Phys. 117, 7281 (2002).

[061]  Probing a cold surface with slow heavyatom scattering: Experimental results and theoretical calculations Andersson, T., Althoff, F., Linde, P., Andersson, S. and Kieron Burke, Phys. Rev. B 65, 045409 (2002).

[060]  Ten topical questions in timedependent density functional theory Maitra, N. T., Kieron Burke, Appel, H., E. K. U. Gross and R. van Leeuwen, Chapter in Reviews in Modern Quantum Chemistry: A Celebration of the Contributions of R.G. Parr 11861225 (2001).

[059]  Symmetry and degeneracy in density functional theory Katriel, Jacob, Zahariev, Federico and Kieron Burke, International Journal of Quantum Chemistry 85, 432435 (2001).

[058]  Can optimized effective potentials be determined uniquely? So Hirata, Stanislav Ivanov, Ireneusz Grabowski, Rodney J. Bartlett, Kieron Burke and James D. Talman, J. Chem. Phys. 115, 16351649 (2001).

[057]  Demonstration of initialstate dependence in timedependent densityfunctional theory Neepa T. Maitra and Kieron Burke, Phys. Rev. A 63, 042501 (2001).

[056]  The pair density in approximate density functionals: The hidden agent Maitra, N. T. and Kieron Burke, Chapter in Manyelectron Densities and Reduced Density Matrices (2000).

[055]  Adiabatic connection from accurate wavefunction calculations Derek Frydel, William M. Terilla and Kieron Burke, J. Chem. Phys. 112, 52925297 (2000).

[054]  Total energy density as an interpretative tool Cohen, Morrel H., Derek Frydel, Kieron Burke and Eberhard Engel, J. Chem. Phys. 113, 29902994 (2000).

[053]  Excitation energies from timedependent density functional theory using exact and approximate potentials Petersilka, M., E. K. U. Gross and Kieron Burke, International Journal of Quantum Chemistry 80, 534554 (2000).

[052]  A hybrid functional for the exchangecorrelation kernel in timedependent density functional theory Kieron Burke, Petersilka, M. and E. K. U. Gross, Chapter in Recent Advances in Density Functional Methods III, 6779 (2002).

[051]  Several Theorems in TimeDependent Density Functional Theory Paul Hessler, Park, Jang and Kieron Burke, Phys. Rev. Lett. 82, 378381 (1999).

[050]  Exact highdensity limit of correlation potential for twoelectron density Stanislav Ivanov, Kieron Burke and Levy, Mel, J. Chem. Phys. 110, 1026210268 (1999).

[049]  A guided tour of timedependent density functional theory Kieron Burke and E. K. U. Gross, Chapter in Density functionals: Theory and applications (1998).

[048]  Two electrons in a magnetic field Kieron Burke, Chapter in Electron correlation dynamics in atomic collisions 223 (1997).

[047]  Unambiguous exchangecorrelation energy density for Hooke\textquoterights atom Kieron Burke, Cruz, Federico G. and Lam, KinChung, International Journal of Quantum Chemistry 70, 583589 (1998).

[046]  Unambiguous exchangecorrelation energy density Kieron Burke, Cruz, Federico G. and Lam, KinChung, J. Chem. Phys. 109, 81618167 (1998).

[045]  ExchangeCorrelation Energy Density from Virial Theorem Cruz, Federico G., Lam, KinChung and Kieron Burke, The Journal of Physical Chemistry A 102, 49114917 (1998).

[044]  Perdew, Burke, and Ernzerhof Reply: John P. Perdew, Kieron Burke and Ernzerhof, Matthias, Phys. Rev. Lett. 80, 891891 (1998).

[043]  Nonlocality of the density functional for exchange and correlation: Physical origins and chemical consequences John P. Perdew, Ernzerhof, Matthias, Ales Zupan and Kieron Burke, J. Chem. Phys. 108, 15221531 (1998).

[042]  Why densitygradient corrections improve atomization energies and barrier heights John P. Perdew, Ernzerhof, Matthias, Ales Zupan and Kieron Burke, Chapter in Adv. in Quantum Chem. (1998).

[041]  Virial exchangecorrelation energy density in Hooke\textquoterights atom Lam, KinChung, Cruz, Federico G. and Kieron Burke, International Journal of Quantum Chemistry 69, 533540 (1998).

[040]  Why semilocal functionals work: Accuracy of the ontop pair density and importance of system averaging Kieron Burke, John P. Perdew and Ernzerhof, Matthias, J. Chem. Phys. 109, 37603771 (1998).

[039]  Mixing exact exchange with GGA: When to say when Kieron Burke, John P. Perdew and Ernzerhof, Matthias, Chapter in Electronic Density Functional Theory: Recent Progress and New Directions 57 (1997).

[038]  Digging into the exchangecorrelation energy: The exchangecorrelation hole Kieron Burke, Chapter in Electronic Density Functional Theory: Recent Progress and New Directions 19 (1997).

[037]  Distributions and averages of electron density parameters: Explaining the effects of gradient corrections Ales Zupan, Kieron Burke, Ernzerhof, Matthias and John P. Perdew, J. Chem. Phys. 106, 1018410193 (1997).

[036]  The adiabatic connection method: a nonempirical hybrid Kieron Burke, Ernzerhof, Matthias and John P. Perdew, Chemical Physics Letters 265, 115  120 (1997).

[035]  Couplingconstant dependence of atomization energies Ernzerhof, Matthias, John P. Perdew and Kieron Burke, International Journal of Quantum Chemistry 64, 285295 (1997).

[034]  Derivation of a generalized gradient approximation: The PW91 density functional Kieron Burke, John P. Perdew and Y. Wang, Chapter in Electronic Density Functional Theory: Recent Progress and New Directions 81 (1997).

[033]  Densitygradient analysis for density functional theory: Application to atoms Ales Zupan, John P. Perdew, Kieron Burke and Causà, Mauro, International Journal of Quantum Chemistry 61, 835845 (1997).

[032]  Ontop pairdensity interpretation of spin density functional theory, with applications to magnetism John P. Perdew, Ernzerhof, Matthias, Kieron Burke and Savin, Andreas, International Journal of Quantum Chemistry 61, 197205 (1997).

[031]  Generalized gradient approximation for the exchangecorrelation hole of a manyelectron system John P. Perdew, Kieron Burke and Wang, Yue, Phys. Rev. B 54, 1653316539 (1996).

[030]  Density functional theory, the exchange hole, and the molecular bond Ernzerhof, Matthias, Kieron Burke and John P. Perdew, Chapter in Recent developments and applications of modern density functional theory (1996).

[029]  Local and gradientcorrected density functionals John P. Perdew, Kieron Burke and Ernzerhof, Matthias, Chapter in Chemical Applications of DensityFunctional Theory, ACS Symposium Series (1996).

[028]  Density functionals: where do they come from, why do they work? Ernzerhof, Matthias, John P. Perdew and Kieron Burke, Chapter in Density Functional Theory (1996).

[027]  Rationale for mixing exact exchange with density functional approximations John P. Perdew, Ernzerhof, Matthias and Kieron Burke, J. Chem. Phys. 105, 99829985 (1996).

[026]  Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] John P. Perdew, Kieron Burke and Ernzerhof, Matthias, Phys. Rev. Lett. 78, 1396 (1997).

[026]  Generalized Gradient Approximation Made Simple John P. Perdew, Kieron Burke and Ernzerhof, Matthias, Phys. Rev. Lett. 77, 38653868 (1996).

[025]  Improving energies by using exact electron densities Burke, Kieron, Perdew, John P. and Levy, Mel, Phys. Rev. A 53, R2915R2917 (1996).

[024]  Longrange asymptotic behavior of groundstate wave functions, onematrices, and pair densities Ernzerhof, Matthias, Kieron Burke and John P. Perdew, The Journal of Chemical Physics 105, 27982803 (1996).

[023]  Why the generalized gradient approximation works and how to go beyond it Kieron Burke, John P. Perdew and Ernzerhof, Matthias, International Journal of Quantum Chemistry 61, 287293 (1997).

[022]  Comparison shopping for a gradientcorrected density functional John P. Perdew and Kieron Burke, International Journal of Quantum Chemistry 57, 309319 (1996).

[021]  Developing surface probes for fun and profit Kieron Burke, (1995).

[020]  Nonlocal density functionals for exchange and correlation: Theory and applications Kieron Burke, John P. Perdew and M. Levy, Chapter in Modern Density Functional Theory: A Tool for Chemistry (1995).

[019]  Density functionals and small interparticle separations in electronic systems Kieron Burke and John P. Perdew, Mod. Phys. Lett. B 9, 829 (1995).

[018]  Escaping the symmetry dilemma through a pairdensity interpretation of spindensity functional theory John P. Perdew, Savin, Andreas and Kieron Burke, Phys. Rev. A 51, 45314541 (1995).

[017]  Realspace analysis of the exchangecorrelation energy Kieron Burke and John P. Perdew, International Journal of Quantum Chemistry 56, 199210 (1995).

[016]  Probing surface lattice dynamics with hyperthermal ion scattering Goodstein, David M., DiRubio, Christopher A., Cooper, Barbara H. and Kieron Burke, Surf. Rev. and Lett. 1, 175 (1994).

[015]  Evolution operator and energy spectrum of a quasiclassical particle interacting with bosons: Application to atomsurface scattering B. Gumhalter, Kieron Burke and D.C. Langreth, Surf. Rev. and Lett. 1, 133 (1994).

[014]  Theory of the phonon dephasing mechanism for vibrational lineshapes at surfaces Kieron Burke, Zhang, Z.Y., Persson, Mats and D.C. Langreth, Chapter in Inelastic Energy Transfer Interactions with Surfaces and Adsorbates (1994).

[013]  Validity of the extended electronelectron cusp condition Kieron Burke, Angulo, J. C. and John P. Perdew, Phys. Rev. A 50, 297304 (1994).

[012]  Is the Local Density Approximation Exact for Short Wavelength Fluctuations? Kieron Burke, John P. Perdew and Langreth, David C., Phys. Rev. Lett. 73, 12831286 (1994).

[011]  Anomalous charge oscillations in the dynamical response of metals Kieron Burke and W.L. Schaich, Phys. Rev. B 49, 1139711404 (1994).

[010]  Limitations of the Trajectory Approximation in AtomSurface Scattering DiRubio, Christopher A., Goodstein, David M., Cooper, Barbara H. and Kieron Burke, Phys. Rev. Lett. 73, 27682771 (1994).

[009]  Crystallinity effects on the surface optical response in metals Kieron Burke and W.L. Schaich, Phys. Rev. B 48, 1459914607 (1993).

[008]  Angleresolved electronenergyloss study of Al/Si(111) Akavoor, P., Glander, G. S., Kesmodel, L. L. and Kieron Burke, Phys. Rev. B 48, 1206312071 (1993).

[007]  Vibrational dephasing at surfaces: The role of cubic anharmonicity and Fermi resonances Kieron Burke, Langreth, David C., Persson, Mats and Zhang, Z.Y., Phys. Rev. B 47, 1586915889 (1993).

[006]  Nearly elastic scattering and the trajectory approximation Kieron Burke, Gumhalter, Branko and Langreth, David C., Phys. Rev. B 47, 1285212864 (1993).

[005]  On the validity of the trajectory approximation in quasiadiabatic atomsurface scattering B. Gumhalter, Kieron Burke, D.C. Langreth, P. Varga and G. Betz, (1991).

[004]  Finite DebyeWaller factor for "classical" atomsurface scattering Kieron Burke and W. Kohn, Phys. Rev. B 43, 24772489 (1991).

[003]  Exploration of surfaces by atomic scattering in the almost classical regime Kieron Burke, J.H. Jensen and W. Kohn, Surface Science 241, 211  224 (1991).

[002]  Simple theory for the atomicforce microscope with a comparison of theoretical and experimental images of graphite Gould, S. A. C., Kieron Burke and P. K. Hansma, Phys. Rev. B 40, 53635366 (1989).

[001]  Magnetic properties of sheet silicates; 2:1:1 layer minerals Ballet, O., Coey, J. M. D. and Kieron Burke, Physics and Chemistry of Minerals 12, 370378 (1985).

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