Publications

BROWSE

[180] Direct extraction of excitation energies from ensemble density-functional theory Zeng-hui Yang, Aurora Pribram-Jones, Kieron Burke, Carsten A. Ullrich, Phys. Rev. Lett. 119, 033003 (2017). [supplementary information] [bibtex] [pdf] [doi]
[179] Warming Up Density Functional Theory Justin C Smith, Francisca Sagredo, Kieron Burke, Submitted (2017). [bibtex] [pdf]
[178] Leading corrections to local approximations II : The case with turning points R. Ribeiro, K. Burke, Phys. Rev. B 95, 115115 (2017). [bibtex] [pdf]
[177] Understanding Band Gaps of Solids in Generalized Kohn-Sham Theory J P Perdew, W Yang, K Burke, Z Yang, E K U Gross, M Scheffler, G E Scuseria, T M Henderson, I Y Zhang, A Ruzsinszky, H Peng, J Sun, Proceedings of the National Academy of Sciences (2017). [bibtex] [pdf] [doi]
[176] Pure density functional for strong correlation and the thermodynamic limit from machine learning Li Li, Thomas E. Baker, Steven R. White, Kieron Burke, Phys. Rev. B 94, 245129 (2016). [bibtex] [pdf] [doi]
[175] By-passing the Kohn-Sham equations with machine learning Felix Brockherde, Leslie Vogt, Li Li, Mark E Tuckerman, Kieron Burke, Klaus-Robert Muller, (submitted) (2016). [supplementary information] [bibtex] [pdf]
[174] The Importance of being Consistent Adam Wasserman, Jonathan Nafziger, Kaili Jiang, Min-Cheol Kim, Eunji Sim, Kieron Burke, Annual Review of Physical Chemistry 68, 555-581 (2017). [bibtex] [pdf]
[173] Locality of correlation in density functional theory Kieron Burke, Antonio Cancio, Tim Gould, Stefano Pittalis, The Journal of Chemical Physics 145, 054112 (2016). [bibtex] [pdf] [doi]
[172] Exact conditions on the temperature dependence of density functionals K. Burke, J. C. Smith, P. E. Grabowski, A. Pribram-Jones, Phys. Rev. B 93, 195132 (2016). [bibtex] [pdf] [doi]
[171] Accurate atomic quantum defects from particle-particle random phase approximation Yang Yang, Kieron Burke, Weitao Yang, Molecular Physics 114, 1189-1198 (2016). [bibtex] [pdf]
[170] Uniform semiclassical approximations for one-dimensional fermionic systems Raphael F. Ribeiro, Kieron Burke, submitted and ArXiv:1510.05676 (2016). [bibtex] [pdf]
[169] Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem Aurora Pribram-Jones, Paul E. Grabowski, Kieron Burke, Phys. Rev. Lett. 116, 233001 (2016). [bibtex] [pdf] [doi]
[168] Connection formula for thermal density functional theory Aurora Pribram-Jones, Kieron Burke, Phys. Rev. B 93, 205140 (2016). [bibtex] [pdf] [doi]
[167] Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation J. C. Smith, A. Pribram-Jones, K. Burke, Phys. Rev. B 93, 245131 (2016). [bibtex] [pdf] [doi]
[166] Improved DFT Potential Energy Surfaces via Improved Densities Min-Cheol Kim, Hansol Park, Suyeon Son, Eunji Sim, Kieron Burke, J. Phys. Chem. Lett. 6, 3802-3807 (2015). [bibtex] [pdf] [doi]
[165] Nonlinear gradient denoising: Finding accurate extrema from inaccurate functional derivatives John C. Snyder, Matthias Rupp, Klaus-Robert Müller, Kieron Burke, International Journal of Quantum Chemistry 115, 1102--1114 (2015). [bibtex] [pdf] [doi]
[164] One-dimensional mimicking of electronic structure: The case for exponentials Thomas E. Baker, E. Miles Stoudenmire, Lucas O. Wagner, Kieron Burke, Steven R. White, Phys. Rev. B 91, 235141 (2015). [data] [summary] [bibtex] [pdf] [doi]
[163] Density functional description of Coulomb blockade: Adiabatic versus dynamic exchange correlation Zhen-Fei Liu, Kieron Burke, Phys. Rev. B 91, 245158 (2015). [bibtex] [pdf] [doi]
[162] The Hubbard dimer: a density functional case study of a many-body problem D J Carrascal, J Ferrer, J C Smith, K Burke, Journal of Physics: Condensed Matter 27, 393001 (2015). [bibtex] [pdf]
[161] Understanding kernel ridge regression: Common behaviors from simple functions to density functionals Kevin Vu, John C. Snyder, Li Li, Matthias Rupp, Brandon F. Chen, Tarek Khelif, Klaus-Robert Müller, Kieron Burke, International Journal of Quantum Chemistry 115, 1115--1128 (2015). [bibtex] [pdf] [doi]
[160] Communication: Testing and using the Lewin-Lieb bounds in density functional theory David V. Feinblum, John Kenison, Kieron Burke, The Journal of Chemical Physics 141, (2014). [bibtex] [pdf] [doi]
[159] Corrections to Thomas-Fermi Densities at Turning Points and Beyond Raphael F. Ribeiro, Donghyung Lee, Attila Cangi, Peter Elliott, Kieron Burke, Phys. Rev. Lett. 114, 050401 (2015). [bibtex] [pdf] [doi]
[158] Atomic correlation energies and the generalized gradient approximation Kieron Burke, Antonio Cancio, Tim Gould, Stefano Pittalis, submitted and ArXiv:1409.4834 (2014). [bibtex] [pdf]
[157] Almost exact exchange at almost no computational cost in electronic structure Peter Elliott, Attila Cangi, Stefano Pittalis, E. K. U. Gross, Kieron Burke, Phys. Rev. A 92, 022513 (2015). [bibtex] [pdf] [doi]
[156] Quantum critical benchmark for electronic structure theory Paul E. Grabowski, Kieron Burke, Phys. Rev. A 91, 032501 (2015). [bibtex] [pdf] [doi]
[155] DFT: A Theory Full of Holes? Aurora Pribram-Jones, David A. Gross, Kieron Burke, Annual Review of Physical Chemistry 66, 283-304 (2015). [bibtex] [pdf] [doi]
[154] Kohn-Sham calculations with the exact functional Lucas O. Wagner, Thomas E. Baker, E. M. Stoudenmire, Kieron Burke, Steven R. White, Phys. Rev. B 90, 045109 (2014). [bibtex] [pdf] [doi]
[153] Understanding machine-learned density functionals Li Li, John C. Snyder, Isabelle M. Pelaschier, Jessica Huang, Uma-Naresh Niranjan, Paul Duncan, Matthias Rupp, Klaus-Robert Mller, Kieron Burke, International Journal of Quantum Chemistry 116, 819--833 (2016). [bibtex] [pdf] [doi]
[152] Gedanken densities and exact constraints in density functional theory John P. Perdew, Adrienn Ruzsinszky, Jianwei Sun, Kieron Burke, The Journal of Chemical Physics 140, (2014). [bibtex] [pdf] [doi]
[151] Excitations and benchmark ensemble density functional theory for two electrons Aurora Pribram-Jones, Zeng-hui Yang, John R. Trail, Kieron Burke, Richard J. Needs, Carsten A. Ullrich, The Journal of Chemical Physics 140, (2014). [supplementary information] [bibtex] [pdf] [doi]
[150] Exact and approximate Kohn-Sham potentials in ensemble density-functional theory Zeng-hui Yang, John R. Trail, Aurora Pribram-Jones, Kieron Burke, Richard J. Needs, Carsten A. Ullrich, Phys. Rev. A 90, 042501 (2014). [bibtex] [pdf] [doi]
[149] Ions in solution: Density corrected density functional theory (DC-DFT) Min-Cheol Kim, Eunji Sim, Kieron Burke, The Journal of Chemical Physics 140, 18A528 (2014). [bibtex] [pdf] [doi]
[148] Thermal Density Functional Theory in Context Aurora Pribram-Jones, Stefano Pittalis, E.K.U. Gross, Kieron Burke, Frontiers and Challenges in Warm Dense Matter, edited by F. Graziani, et al. (Springer) (2013). [bibtex] [pdf]
[147] Nonexistence of a Taylor expansion in time due to cusps Zeng-hui Yang, Kieron Burke, Phys. Rev. A 88, 042514 (2013). [bibtex] [pdf] [doi]
[146] Potential functionals versus density functionals Attila Cangi, E. K. U. Gross, Kieron Burke, Phys. Rev. A 88, 062505 (2013). [bibtex] [pdf] [doi]
[145] Comment on “Application of partition density-functional theory to one-dimensional models” Peter Elliott, Daniel Jensen, Adam Wasserman, Kieron Burke, Phys. Rev. A 89, 026501 (2014). [bibtex] [pdf] [doi]
[144] Orbital-free Bond Breaking via Machine Learning John C. Snyder, Matthias Rupp, Katja Hansen, Leo Blooston, Klaus-Robert Müller, Kieron Burke, J. Chem. Phys. 139, 224104 (2013). [bibtex] [pdf] [doi]
[143] Guaranteed Convergence of the Kohn-Sham Equations Lucas O. Wagner, E. M. Stoudenmire, Kieron Burke, Steven R. White, Phys. Rev. Lett. 111, 093003 (2013). [bibtex] [pdf] [doi]
[142] Kernels, Pre-Images and Optimization John C. Snyder, Sebastian Mika, Kieron Burke, Klaus-Robert Müller, Chapter in Empirical Inference - Festschrift in Honor of Vladimir N. Vapnik (2013). [bibtex] [pdf]
[141] Understanding and reducing errors in density functional calculations Min-Cheol Kim, Eunji Sim, Kieron Burke, Phys. Rev. Lett. 111, 073003 (2013). [supplementary information] [bibtex] [pdf] [doi]
[140] Reference electronic structure calculations in one dimension Lucas O. Wagner, E.M. Stoudenmire, Kieron Burke, Steven R. White, Phys. Chem. Chem. Phys. 14, 8581 - 8590 (2012). [bibtex] [pdf] [doi]
[139] Perspective on density functional theory K. Burke, J. Chem. Phys. 136, 150901 (2012). [bibtex] [pdf]
[138] Accuracy of density functionals for molecular electronics: the Anderson junction Z.-F. Liu, J. P. Bergfield, K. Burke, C. A. Stafford, Phys. Rev. B 85, 155117 (2012). [bibtex] [pdf]
[137] Finding Density Functionals with Machine Learning John C. Snyder, Matthias Rupp, Katja Hansen, Klaus-Robert Müller, Kieron Burke, Phys. Rev. Lett. 108, 253002 (2012). [supplementary information] [bibtex] [pdf] [doi]
[136] DFT in a nutshell Kieron Burke, Lucas O. Wagner, Int. J. Quant. Chem. 113, 96-101 (2013). [bibtex] [pdf] [doi]
[135] The effect of cusps in time-dependent quantum mechanics Zeng-hui Yang, Neepa T. Maitra, Kieron Burke, Phys. Rev. Lett. 108, 063003 (2012). [bibtex] [pdf] [doi]
[134] Exact conditions in finite temperature density functional theory S. Pittalis, C. R. Proetto, A. Floris, A. Sanna, C. Bersier, Kieron Burke, E. K. U. Gross, Phys. Rev. Lett. 107, (2011). [bibtex] [pdf]
[133] One-Dimensional Continuum Electronic Structure with the Density-Matrix Renormalization Group and Its Implications for Density-Functional Theory E.M. Stoudenmire, Lucas O. Wagner, Steven R. White, Kieron Burke, Phys. Rev. Lett. 109, 056402 (2012). [bibtex] [pdf] [doi]
[132] Bethe Ansatz approach to the Kondo effect within density-functional theory J. P. Bergfield, Z.-F. Liu, Kieron Burke, C. A. Stafford, Phys. Rev. Lett. 108, 066801 (2012). [bibtex] [pdf]
[131] Communication: Avoiding unbound anions in density functional calculations Min-Cheol Kim, Eunji Sim, Kieron Burke, J. Chem. Phys. 134, 171103 (2011). [bibtex] [pdf] [doi]
[130] Electronic Structure via Potential Functional Approximations Attila Cangi, Donghyung Lee, Peter Elliott, Kieron Burke, E. K. U. Gross, Phys. Rev. Lett. 106, 236404 (2011). [bibtex] [pdf] [doi]
[129] Exact conditions and their relevance in TDDFT Lucas O. Wagner, Zeng-hui Yang, Kieron Burke, Chapter in Fundamentals of Time-Dependent Density Functional Theory 101-122 (2012). [bibtex] [pdf]
[128] Communication: Ionization potentials in the limit of large atomic number Lucian A. Constantin, John C. Snyder, John P. Perdew, Kieron Burke, The Journal of Chemical Physics 133, 241103 (2010). [bibtex] [pdf] [doi]
[127] Finding electron affinities with approximate density functionals Donghyung Lee, Kieron Burke, Molecular Physics 108, 2687-2701 (2010). [bibtex] [pdf] [doi]
[126] Accuracy of Electron Affinities of Atoms in Approximate Density Functional Theory Donghyung Lee, Filipp Furche, Kieron Burke, J. Phys. Chem. Lett. 1, 2124-2129 (2010). [bibtex] [pdf] [doi]
[125] Leading corrections to local approximations Attila Cangi, Donghyung Lee, Peter Elliott, Kieron Burke, Phys. Rev. B 81, 235128 (2010). [bibtex] [pdf] [doi]
[124] Density-potential mapping in time-dependent density-functional theory N. T. Maitra, T. N. Todorov, Chris Woodward, Kieron Burke, Phys. Rev. A 81, 042525 (2010). [bibtex] [pdf] [doi]
[123] Adiabatic connection for strictly correlated electrons Z.-F. Liu, K. Burke, J. Chem. Phys. 131, 124124 (2009). [bibtex] [pdf] [doi]
[122] Potential scaling in density functional theory Peter Elliott, Kieron Burke, (2009). [bibtex] [pdf]
[121] Must Kohn-Sham oscillator strengths be accurate at threshold? Zeng-hui Yang, Meta van Faassen, Kieron Burke, J. Chem. Phys. 131, 114308 (2009). [bibtex] [pdf] [doi]
[120] Adiabatic connection in the low-density limit Z.-F. Liu, K. Burke, Phys. Rev. A 79, 064503 (2009). [bibtex] [pdf] [doi]
[119] Density Functional Partition Theory with Fractional Occupations Peter Elliott, Morrel H. Cohen, Adam Wasserman, Kieron Burke, Journal of Chemical Theory and Computation 5, 827-833 (2009). [bibtex] [pdf] [doi]
[118] Non-empirical derivation of the parameter in the B88 exchange functional Peter Elliott, Kieron Burke, Canadian Journal of Chemistry 87, 1485-1491 (2009). [bibtex] [pdf] [doi]
[117] Time-dependent density functional theory of high excitations: to infinity, and beyond Meta van Faassen, Kieron Burke, Phys. Chem. Chem. Phys. 11, 4437-4450 (2009). [bibtex] [pdf] [doi]
[116] Partition density-functional theory Peter Elliott, Kieron Burke, Morrel H. Cohen, Adam Wasserman, Phys. Rev. A 82, 024501 (2010). [bibtex] [pdf] [doi]
[115] Which functional should I choose? D. Rappoport, N. R. M. Crawford, Filipp Furche, Kieron Burke, Chapter in Computational Inorganic and Bioinorganic Chemistry (2009). [bibtex] [pdf]
[114] Perdew et al. Reply John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka, Oleg A. Vydrov, Gustavo E. Scuseria, Lucian A. Constantin, Xiaolan Zhou, Kieron Burke, Phys. Rev. Lett. 101, 239702 (2008). (Mattsson's comment (Phys. Rev. Lett. 101, 239701 (2008))) [bibtex] [pdf] [doi]
[113] Condition on the Kohn-Sham kinetic energy and modern parametrization of the Thomas-Fermi density Donghyung Lee, Lucian A. Constantin, John P. Perdew, Kieron Burke, J. Chem. Phys. 130, 034107 (2009). [bibtex] [pdf] [doi]
[112] Charge Transfer in Partition Theory\textdagger Morrel H. Cohen, Adam Wasserman, Roberto Car, Kieron Burke, The Journal of Physical Chemistry A 113, 2183-2192 (2009). (PMID: 19215125) [bibtex] [pdf] [doi]
[111] Semiclassical Origins of Density Functionals Peter Elliott, Donghyung Lee, Attila Cangi, Kieron Burke, Phys. Rev. Lett. 100, 256406 (2008). [bibtex] [pdf] [doi]
[110] Comment on Critique of the foundations of time-dependent density-functional theory Neepa T. Maitra, Robert van Leeuwen, Kieron Burke, Phys. Rev. A 78, 056501 (2008). [bibtex] [pdf] [doi]
[109] Polarizability of molecular chains: A self-interaction correction approach C. D. Pemmaraju, S. Sanvito, Kieron Burke, Phys. Rev. B 77, 121204 (2008). [bibtex] [pdf] [doi]
[108] Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka, Oleg A. Vydrov, Gustavo E. Scuseria, Lucian A. Constantin, Xiaolan Zhou, Kieron Burke, Phys. Rev. Lett. 100, 136406 (2008). [supplementary information] [bibtex] [pdf] [doi]
[107] Partition Theory: A Very Simple Illustration\textdagger Morrel H. Cohen, Adam Wasserman, Kieron Burke, The Journal of Physical Chemistry A 111, 12447-12453 (2007). (PMID: 18052308) [bibtex] [pdf] [doi]
[106] Time-Dependent Density Functional Calculation of e-H Scattering Meta van Faassen, Adam Wasserman, Eberhard Engel, Fan Zhang, Kieron Burke, Phys. Rev. Lett. 99, 043005 (2007). [bibtex] [pdf] [doi]
[105] Comment on "Analysis of Floquet formulation of time-dependent density-functional theory" [Chem. Phys. Lett. 433 (2006) 204] Neepa T. Maitra, Kieron Burke, Chemical Physics Letters 441, 167 - 169 (2007). [bibtex] [pdf] [doi]
[104] XMCD analysis beyond standard procedures H. Wende, A. Scherz, C. Sorg, K. Baberschke, E. K. U. Gross, H. Appel, Kieron Burke, J. Minár, H. Ebert, A.L. Ankudinov, J.J. Rehr, Chapter in X-ray Absorption Fine Structure - XAFS13 78 (2007). [bibtex] [pdf]
[103] Density functional calculations of nanoscale conductance Max Koentopp, Connie Chang, Kieron Burke, Roberto Car, Journal of Physics: Condensed Matter 20, 083203 (2008). [bibtex] [pdf]
[102] Excited states from time-dependent density functional theory Peter Elliott, Filipp Furche, Kieron Burke, Chapter in Reviews in Computational Chemistry 91-165 (2009). [bibtex] [pdf]
[101] Pride, Prejudice, and Penury of ab initio transport calculations for single molecules Ferdinand Evers, Kieron Burke, Chapter in Nano and Molecular Electronics Handbook 24-1 (2007). [bibtex] [pdf]
[100] A new challenge for time-dependent density functional theory Meta van Faassen, Kieron Burke, Chemical Physics Letters 431, 410 - 414 (2006). [bibtex] [pdf] [doi]
[99] Relevance of the Slowly Varying Electron Gas to Atoms, Molecules, and Solids John P. Perdew, Lucian A. Constantin, Espen Sagvolden, Kieron Burke, Phys. Rev. Lett. 97, 223002 (2006). [bibtex] [pdf] [doi]
[98] The quantum defect: The true measure of time-dependent density-functional results for atoms Meta van Faassen, Kieron Burke, J. Chem. Phys. 124, 094102 (2006). [bibtex] [pdf] [doi]
[97] Double-pole approximation in time-dependent density functional theory H. Appel, E. K. U. Gross, Kieron Burke, International Journal of Quantum Chemistry 106, 2840-2847 (2006). [bibtex] [pdf] [doi]
[96] Time-Dependent Density Functional Theory in Quantum Chemistry Filipp Furche, Kieron Burke, Chapter in Annual Reports in Computational Chemistry 1, 19 - 30 (2005). [bibtex] [pdf] [doi]
[95] Measuring the Kernel of Time-Dependent Density Functional Theory with X-Ray Absorption Spectroscopy of $3d$ Transition Metals A. Scherz, E. K. U. Gross, H. Appel, C. Sorg, K. Baberschke, H. Wende, Kieron Burke, Phys. Rev. Lett. 95, 253006 (2005). [bibtex] [pdf] [doi]
[94] Self-Interaction Errors in Density-Functional Calculations of Electronic Transport C. Toher, A. Filippetti, S. Sanvito, Kieron Burke, Phys. Rev. Lett. 95, 146402 (2005). [bibtex] [pdf] [doi]
[93] Scattering Amplitudes A. Wasserman, K. Burke, Chapter in Time-Dependent Density Functional Theory 706, 493-505 (2006). [bibtex] [pdf] [doi]
[92] Kohn-Sham master equation approach to transport through single molecules Ralph Gebauer, Kieron Burke, Roberto Car, Chapter in Lecture Notes in Physics 706, 463 (2006). [bibtex] [pdf] [doi]
[91] Basics of TDDFT E. K. U. Gross, Kieron Burke, Chapter in Lecture Notes in Physics 706, 1 (2006). [bibtex] [pdf] [doi]
[90] Exact Conditions Kieron Burke, Chapter in Lecture Notes in Physics 706, 181 (2006). [bibtex] [pdf] [doi]
[89] Rydberg Transition Frequencies from the Local Density Approximation Adam Wasserman, Kieron Burke, Phys. Rev. Lett. 95, 163006 (2005). [bibtex] [pdf] [doi]
[88] Coordinate scaling in time-dependent current-density-functional theory Maxime Dion, Kieron Burke, Phys. Rev. A 72, 020502 (2005). [bibtex] [pdf] [doi]
[87] Zero-bias molecular electronics: Exchange-correlation corrections to Landauer\textquoterights formula Max Koentopp, Kieron Burke, Ferdinand Evers, Phys. Rev. B 73, 121403 (2006). [bibtex] [pdf] [doi]
[86] Describing static correlation in bond dissociation by Kohn-Sham density functional theory M. Fuchs, Y.-M. Niquet, X. Gonze, Kieron Burke, J. Chem. Phys. 122, 094116 (2005). [bibtex] [pdf] [doi]
[85] Density Functional Theory of the Electrical Conductivity of Molecular Devices Kieron Burke, Roberto Car, Ralph Gebauer, Phys. Rev. Lett. 94, 146803 (2005). [bibtex] [pdf] [doi]
[84] Time-dependent density functional theory: Past, present, and future Kieron Burke, Jan Werschnik, E. K. U. Gross, J. Chem. Phys. 123, 062206 (2005). [bibtex] [pdf] [doi]
[83] Relations between coordinate and potential scaling in the high-density limit Takeyce K. Whittingham, Kieron Burke, J. Chem. Phys. 122, 134108 (2005). [bibtex] [pdf] [doi]
[82] Lack of Hohenberg-Kohn Theorem for Excited States R. Gaudoin, Kieron Burke, Phys. Rev. Lett. 93, 173001 (2004). [bibtex] [pdf] [doi]
[81] Excitation energies from time-dependent density-functional theory beyond the adiabatic approximation C. A. Ullrich, Kieron Burke, J. Chem. Phys. 121, 28-35 (2004). [bibtex] [pdf] [doi]
[80] Density-functional theory in one dimension for contact-interacting fermions R.J. Magyar, Kieron Burke, Phys. Rev. A 70, 032508 (2004). [bibtex] [pdf] [doi]
[79] A dressed TDDFT treatment of the 21Ag states of butadiene and hexatriene Robert J. Cave, Fan Zhang, Neepa T. Maitra, Kieron Burke, Chemical Physics Letters 389, 39 - 42 (2004). [bibtex] [pdf] [doi]
[78] Continuum states from time-dependent density functional theory Adam Wasserman, Neepa T. Maitra, Kieron Burke, J. Chem. Phys. 122, 144103 (2005). [bibtex] [pdf] [doi]
[77] Adiabatic connection for near degenerate excited states Fan Zhang, Kieron Burke, Phys. Rev. A 69, 052510 (2004). [bibtex] [pdf] [doi]
[76] Design of a Grating-Based Thin-Film Filter for Broadband Spectropolarimetry Donghyun Kim, Kieron Burke, Appl. Opt. 42, 6321-6326 (2003). [bibtex] [pdf] [doi]
[75] Rules for minimal atomic multipole expansion of molecular fields E. V. Tsiper, Kieron Burke, J. Chem. Phys. 120, 1153-1156 (2004). [bibtex] [pdf] [doi]
[74] Accurate Rydberg Excitations from the Local Density Approximation Adam Wasserman, Neepa T. Maitra, Kieron Burke, Phys. Rev. Lett. 91, 263001 (2003). [bibtex] [pdf] [doi]
[73] Double excitations within time-dependent density functional theory linear response Neepa T. Maitra, Fan Zhang, Robert J. Cave, Kieron Burke, J. Chem. Phys. 120, 5932-5937 (2004). [bibtex] [pdf] [doi]
[72] Comment on \textquoteleft\textquoteleftTotal Energy Method from Many-Body Formulation\textquoteright\textquoteright M. Fuchs, Kieron Burke, Y.-M. Niquet, X. Gonze, Phys. Rev. Lett. 90, 189701 (2003). [bibtex] [pdf] [doi]
[71] Accurate adiabatic connection curve beyond the physical interaction strength R.J. Magyar, William M. Terilla, Kieron Burke, J. Chem. Phys. 119, 696-700 (2003). [bibtex] [pdf] [doi]
[70] Testing the kinetic energy functional: Kinetic energy density as a density functional Eunji Sim, Joe Larkin, Kieron Burke, Charles W. Bock, J. Chem. Phys. 118, 8140-8148 (2003). [bibtex] [pdf] [doi]
[69] Current-density functional theory of the response of solids Neepa T. Maitra, Ivo Souza, Kieron Burke, Phys. Rev. B 68, 045109 (2003). [bibtex] [pdf] [doi]
[68] Excitations in Time-Dependent Density-Functional Theory H. Appel, E. K. U. Gross, Kieron Burke, Phys. Rev. Lett. 90, 043005 (2003). [bibtex] [pdf] [doi]
[67] What is time-dependent density functional theory? Successes and Challenges N. T. Maitra, Adam Wasserman, Kieron Burke, Chapter in Electron Correlations and Materials Properties 2 285 (2003). [bibtex] [pdf]
[66] Theoretical Investigation of the Ground and Excited States of Coumarin 151 and Coumarin 120 Robert J. Cave, Kieron Burke, Edward W. Castner, The Journal of Physical Chemistry A 106, 9294-9305 (2002). [bibtex] [pdf] [doi]
[65] Scaling the spin densities separately in density-functional theory R.J. Magyar, Takeyce K. Whittingham, Kieron Burke, Phys. Rev. A 66, 022105 (2002). [bibtex] [pdf] [doi]
[64] On the Floquet formulation of time-dependent density functional theory Neepa T. Maitra, Kieron Burke, Chemical Physics Letters 359, 237 - 240 (2002). [bibtex] [pdf] [doi]
[63] Memory in Time-Dependent Density Functional Theory Neepa T. Maitra, Kieron Burke, Chris Woodward, Phys. Rev. Lett. 89, 023002 (2002). [bibtex] [pdf] [doi]
[62] Correlation in time-dependent density-functional theory Paul Hessler, Neepa T. Maitra, Kieron Burke, J. Chem. Phys. 117, 72-81 (2002). [bibtex] [pdf] [doi]
[61] Probing a cold surface with slow heavy-atom scattering: Experimental results and theoretical calculations T. Andersson, F. Althoff, P. Linde, S. Andersson, Kieron Burke, Phys. Rev. B 65, 045409 (2002). [bibtex] [pdf] [doi]
[60] Ten topical questions in time-dependent density functional theory N. T. Maitra, Kieron Burke, H. Appel, E. K. U. Gross, R. van Leeuwen, Chapter in Reviews in Modern Quantum Chemistry: A Celebration of the Contributions of R.G. Parr 1186-1225 (2001). [bibtex] [pdf]
[59] Symmetry and degeneracy in density functional theory Jacob Katriel, Federico Zahariev, Kieron Burke, International Journal of Quantum Chemistry 85, 432-435 (2001). [bibtex] [pdf] [doi]
[58] Can optimized effective potentials be determined uniquely? So Hirata, Stanislav Ivanov, Ireneusz Grabowski, Rodney J. Bartlett, Kieron Burke, James D. Talman, J. Chem. Phys. 115, 1635-1649 (2001). [bibtex] [pdf] [doi]
[57] Demonstration of initial-state dependence in time-dependent density-functional theory Neepa T. Maitra, Kieron Burke, Phys. Rev. A 63, 042501 (2001). [bibtex] [pdf] [doi]
[56] The pair density in approximate density functionals: The hidden agent N. T. Maitra, Kieron Burke, Chapter in Many-electron Densities and Reduced Density Matrices (2000). [bibtex] [pdf]
[55] Adiabatic connection from accurate wave-function calculations Derek Frydel, William M. Terilla, Kieron Burke, J. Chem. Phys. 112, 5292-5297 (2000). [bibtex] [pdf] [doi]
[54] Total energy density as an interpretative tool Morrel H. Cohen, Derek Frydel, Kieron Burke, Eberhard Engel, J. Chem. Phys. 113, 2990-2994 (2000). [bibtex] [pdf] [doi]
[53] Excitation energies from time-dependent density functional theory using exact and approximate potentials M. Petersilka, E. K. U. Gross, Kieron Burke, International Journal of Quantum Chemistry 80, 534-554 (2000). [bibtex] [pdf] [doi]
[52] A hybrid functional for the exchange-correlation kernel in time-dependent density functional theory Kieron Burke, M. Petersilka, E. K. U. Gross, Chapter in Recent Advances in Density Functional Methods III, 67-79 (2002). [bibtex] [pdf]
[51] Several Theorems in Time-Dependent Density Functional Theory Paul Hessler, Jang Park, Kieron Burke, Phys. Rev. Lett. 82, 378-381 (1999). [bibtex] [pdf] [doi]
[50] Exact high-density limit of correlation potential for two-electron density Stanislav Ivanov, Kieron Burke, Mel Levy, J. Chem. Phys. 110, 10262-10268 (1999). [bibtex] [pdf] [doi]
[49] A guided tour of time-dependent density functional theory Kieron Burke, E. K. U. Gross, Chapter in Density functionals: Theory and applications (1998). [bibtex] [pdf]
[48] Two electrons in a magnetic field Kieron Burke, Chapter in Electron correlation dynamics in atomic collisions 223 (1997). [bibtex] [pdf]
[47] Unambiguous exchange-correlation energy density for Hooke\textquoterights atom Kieron Burke, Federico G. Cruz, Kin-Chung Lam, International Journal of Quantum Chemistry 70, 583-589 (1998). [bibtex] [pdf] [doi]
[46] Unambiguous exchange-correlation energy density Kieron Burke, Federico G. Cruz, Kin-Chung Lam, J. Chem. Phys. 109, 8161-8167 (1998). [bibtex] [pdf] [doi]
[45] Exchange-Correlation Energy Density from Virial Theorem Federico G. Cruz, Kin-Chung Lam, Kieron Burke, The Journal of Physical Chemistry A 102, 4911-4917 (1998). [bibtex] [pdf] [doi]
[44] Perdew, Burke, and Ernzerhof Reply: John P. Perdew, Kieron Burke, Matthias Ernzerhof, Phys. Rev. Lett. 80, 891-891 (1998). [bibtex] [pdf] [doi]
[43] Nonlocality of the density functional for exchange and correlation: Physical origins and chemical consequences John P. Perdew, Matthias Ernzerhof, Ales Zupan, Kieron Burke, J. Chem. Phys. 108, 1522-1531 (1998). [bibtex] [pdf] [doi]
[42] Why density-gradient corrections improve atomization energies and barrier heights John P. Perdew, Matthias Ernzerhof, Ales Zupan, Kieron Burke, Chapter in Adv. in Quantum Chem. (1998). [bibtex] [pdf]
[41] Virial exchange-correlation energy density in Hooke\textquoterights atom Kin-Chung Lam, Federico G. Cruz, Kieron Burke, International Journal of Quantum Chemistry 69, 533-540 (1998). [bibtex] [pdf] [doi]
[40] Why semilocal functionals work: Accuracy of the on-top pair density and importance of system averaging Kieron Burke, John P. Perdew, Matthias Ernzerhof, J. Chem. Phys. 109, 3760-3771 (1998). [bibtex] [pdf] [doi]
[39] Mixing exact exchange with GGA: When to say when Kieron Burke, John P. Perdew, Matthias Ernzerhof, Chapter in Electronic Density Functional Theory: Recent Progress and New Directions 57 (1997). [bibtex] [pdf]
[38] Digging into the exchange-correlation energy: The exchange-correlation hole Kieron Burke, Chapter in Electronic Density Functional Theory: Recent Progress and New Directions 19 (1997). [bibtex] [pdf]
[37] Distributions and averages of electron density parameters: Explaining the effects of gradient corrections Ales Zupan, Kieron Burke, Matthias Ernzerhof, John P. Perdew, J. Chem. Phys. 106, 10184-10193 (1997). [bibtex] [pdf] [doi]
[36] The adiabatic connection method: a non-empirical hybrid Kieron Burke, Matthias Ernzerhof, John P. Perdew, Chemical Physics Letters 265, 115 - 120 (1997). [bibtex] [pdf] [doi]
[35] Coupling-constant dependence of atomization energies Matthias Ernzerhof, John P. Perdew, Kieron Burke, International Journal of Quantum Chemistry 64, 285-295 (1997). [bibtex] [pdf] [doi]
[34] Derivation of a generalized gradient approximation: The PW91 density functional Kieron Burke, John P. Perdew, Y. Wang, Chapter in Electronic Density Functional Theory: Recent Progress and New Directions 81 (1997). [bibtex] [pdf]
[33] Density-gradient analysis for density functional theory: Application to atoms Ales Zupan, John P. Perdew, Kieron Burke, Mauro Causà, International Journal of Quantum Chemistry 61, 835-845 (1997). [bibtex] [pdf] [doi]
[32] On-top pair-density interpretation of spin density functional theory, with applications to magnetism John P. Perdew, Matthias Ernzerhof, Kieron Burke, Andreas Savin, International Journal of Quantum Chemistry 61, 197-205 (1997). [bibtex] [pdf] [doi]
[31] Generalized gradient approximation for the exchange-correlation hole of a many-electron system John P. Perdew, Kieron Burke, Yue Wang, Phys. Rev. B 54, 16533-16539 (1996). [bibtex] [pdf] [doi]
[30] Density functional theory, the exchange hole, and the molecular bond Matthias Ernzerhof, Kieron Burke, John P. Perdew, Chapter in Recent developments and applications of modern density functional theory (1996). [bibtex] [pdf]
[29] Local and gradient-corrected density functionals John P. Perdew, Kieron Burke, Matthias Ernzerhof, Chapter in Chemical Applications of Density-Functional Theory, ACS Symposium Series (1996). [bibtex] [pdf]
[28] Density functionals: where do they come from, why do they work? Matthias Ernzerhof, John P. Perdew, Kieron Burke, Chapter in Density Functional Theory (1996). [bibtex] [pdf]
[27] Rationale for mixing exact exchange with density functional approximations John P. Perdew, Matthias Ernzerhof, Kieron Burke, J. Chem. Phys. 105, 9982-9985 (1996). [bibtex] [pdf] [doi]
[26] Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] John P. Perdew, Kieron Burke, Matthias Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997). [bibtex] [pdf] [doi]
[26] Generalized Gradient Approximation Made Simple John P. Perdew, Kieron Burke, Matthias Ernzerhof, Phys. Rev. Lett. 77, 3865-3868 (1996). [bibtex] [pdf] [doi]
[25] Improving energies by using exact electron densities Kieron Burke, John P. Perdew, Mel Levy, Phys. Rev. A 53, R2915-R2917 (1996). [bibtex] [pdf] [doi]
[24] Long-range asymptotic behavior of ground-state wave functions, one-matrices, and pair densities Matthias Ernzerhof, Kieron Burke, John P. Perdew, The Journal of Chemical Physics 105, 2798-2803 (1996). [bibtex] [pdf] [doi]
[23] Why the generalized gradient approximation works and how to go beyond it Kieron Burke, John P. Perdew, Matthias Ernzerhof, International Journal of Quantum Chemistry 61, 287-293 (1997). [bibtex] [pdf] [doi]
[22] Comparison shopping for a gradient-corrected density functional John P. Perdew, Kieron Burke, International Journal of Quantum Chemistry 57, 309-319 (1996). [bibtex] [pdf] [doi]
[21] Developing surface probes for fun and profit Kieron Burke, (1995). [bibtex] [pdf]
[20] Nonlocal density functionals for exchange and correlation: Theory and applications Kieron Burke, John P. Perdew, M. Levy, Chapter in Modern Density Functional Theory: A Tool for Chemistry (1995). [bibtex] [pdf]
[19] Density functionals and small interparticle separations in electronic systems Kieron Burke, John P. Perdew, Mod. Phys. Lett. B 9, 829 (1995). [bibtex] [pdf] [doi]
[18] Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory John P. Perdew, Andreas Savin, Kieron Burke, Phys. Rev. A 51, 4531-4541 (1995). [bibtex] [pdf] [doi]
[17] Real-space analysis of the exchange-correlation energy Kieron Burke, John P. Perdew, International Journal of Quantum Chemistry 56, 199-210 (1995). [bibtex] [pdf] [doi]
[16] Probing surface lattice dynamics with hyperthermal ion scattering David M. Goodstein, Christopher A. DiRubio, Barbara H. Cooper, Kieron Burke, Surf. Rev. and Lett. 1, 175 (1994). [bibtex] [pdf] [doi]
[15] Evolution operator and energy spectrum of a quasiclassical particle interacting with bosons: Application to atom-surface scattering B. Gumhalter, Kieron Burke, D.C. Langreth, Surf. Rev. and Lett. 1, 133 (1994). [bibtex] [pdf] [doi]
[14] Theory of the phonon dephasing mechanism for vibrational lineshapes at surfaces Kieron Burke, Z.-Y. Zhang, Mats Persson, D.C. Langreth, Chapter in Inelastic Energy Transfer Interactions with Surfaces and Adsorbates (1994). [bibtex] [pdf]
[13] Validity of the extended electron-electron cusp condition Kieron Burke, J. C. Angulo, John P. Perdew, Phys. Rev. A 50, 297-304 (1994). [bibtex] [pdf] [doi]
[12] Is the Local Density Approximation Exact for Short Wavelength Fluctuations? Kieron Burke, John P. Perdew, David C. Langreth, Phys. Rev. Lett. 73, 1283-1286 (1994). [bibtex] [pdf] [doi]
[11] Anomalous charge oscillations in the dynamical response of metals Kieron Burke, W.L. Schaich, Phys. Rev. B 49, 11397-11404 (1994). [bibtex] [pdf] [doi]
[10] Limitations of the Trajectory Approximation in Atom-Surface Scattering Christopher A. DiRubio, David M. Goodstein, Barbara H. Cooper, Kieron Burke, Phys. Rev. Lett. 73, 2768-2771 (1994). [bibtex] [pdf] [doi]
[9] Crystallinity effects on the surface optical response in metals Kieron Burke, W.L. Schaich, Phys. Rev. B 48, 14599-14607 (1993). [bibtex] [pdf] [doi]
[8] Angle-resolved electron-energy-loss study of Al/Si(111) P. Akavoor, G. S. Glander, L. L. Kesmodel, Kieron Burke, Phys. Rev. B 48, 12063-12071 (1993). [bibtex] [pdf] [doi]
[7] Vibrational dephasing at surfaces: The role of cubic anharmonicity and Fermi resonances Kieron Burke, David C. Langreth, Mats Persson, Z.-Y. Zhang, Phys. Rev. B 47, 15869-15889 (1993). [bibtex] [pdf] [doi]
[6] Nearly elastic scattering and the trajectory approximation Kieron Burke, Branko Gumhalter, David C. Langreth, Phys. Rev. B 47, 12852-12864 (1993). [bibtex] [pdf] [doi]
[5] On the validity of the trajectory approximation in quasi-adiabatic atom-surface scattering B. Gumhalter, Kieron Burke, D.C. Langreth, P. Varga, G. Betz, (1991). [bibtex] [pdf]
[4] Finite Debye-Waller factor for ``classical" atom-surface scattering Kieron Burke, W. Kohn, Phys. Rev. B 43, 2477-2489 (1991). [bibtex] [pdf] [doi]
[3] Exploration of surfaces by atomic scattering in the almost classical regime Kieron Burke, J.H. Jensen, W. Kohn, Surface Science 241, 211 - 224 (1991). [bibtex] [pdf] [doi]
[2] Simple theory for the atomic-force microscope with a comparison of theoretical and experimental images of graphite S. A. C. Gould, Kieron Burke, P. K. Hansma, Phys. Rev. B 40, 5363-5366 (1989). [bibtex] [pdf] [doi]
[1] Magnetic properties of sheet silicates; 2:1:1 layer minerals O. Ballet, J. M. D. Coey, Kieron Burke, Physics and Chemistry of Minerals 12, 370-378 (1985). [bibtex] [pdf] [doi]

Theses

Raphael Ribeiro, PhD, Chemistry, September 2016,
Semiclassical Theory of Fermions
Li Li, PhD, Physics, May 2016,
Development of Machine Learning Algorithms in Density Functional Theory
Aurora Pribram-Jones, PhD, Chemistry, September 2015
Thermal Density Functional Theory as Applied to Warm Dense Matter
John Snyder, PhD, Physics, November 2013
Applications of Machine Learning to Density Functional Theory
Lucas Wagner, PhD, Physics, July 2012
Kohn-Sham Density Functional Theory and Strong Electron Correlation
Zhenfei Liu, PhD, Chemistry, August 2012
Density Functional Studies of Spatial and On-site Strong Correlations
Joseph Dizon, Undergraduate, Chemistry, June 2012
Test of the validity of the gradient expansion for slowly-varying extended systems and coefficients of the sixth order for the KE in 1d
Zenghui Yang, PhD, Chemistry, September 2011
Exact and peculiar aspects of time-dependent density-functional theory
Attila Cangi, PhD, Chemistry, July 2011
Potential functional theory and approximations: An approach for describing the electronic structure of matter
Donghyung Lee, PhD, Chemistry, December 2010
Electron Affinity in Approximate Density Functional Theory and the Role of Semiclassics in Orbital-Free Potential-Density Functional Theory
Peter Elliott, PhD, Physics, December 2009
Two new approaches for electronic structure: Partition Density Functional Theory and Potential Functional Theory
Jeremy Ovadia, Undergraduate, Chemistry and physics, September 2009
Expanding a semiclassical approach to the non-interacting atom
Fan Zhang, PhD, Physics, October 2006
Development of time-dependent density-functional theory in chemical and solid-state physics
Adam Wasserman, PhD, Chemistry, March 2005
Scattering states from time-dependent density functional theory
Paul Hessler, Masters, Chemistry, September 2004
Investigations of exact properties of time-dependent systems and their application to density functional theory
Aiyan Lu, Undergraduate, Chemistry and physics, August 2004
Testing the limits of the von Weizsacker Kinetic Energy Functional
Takeyce Whittingham, PhD, Chemistry, May 2004
Scaling relations in density functional theory and applications of electronic structure methods
Rudy Magyar, PhD, Physics, August 2003
Adiabatic connection and uniform density scaling: Cornerstones of a density functional theory
Jan Werschnik, Masters, Physics, August 2001
Time-dependent density functional theory: How accurate is LDA?
Christy Skowronski, Undergraduate, Physics, April 2000
Quantum defect in Hooke's atom
Heiko Appel, Masters, Physics, April 1999
Oscillator strengths from time-dependent density functional theory