☰

Kieron J. Burke - Publications

Affiliations: 
Chemistry University of California, Irvine, Irvine, CA 
Area:
Physical and Computational Chemistry
Website:
http://www.faculty.uci.edu/profile.cfm?faculty_id=5347
Tree Info Similar researchers PubMed Report error

193 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Redd JJ, Cancio AC, Argaman N, Burke K. Investigations of the exchange energy of neutral atoms in the large-Z limit. The Journal of Chemical Physics. 160. PMID 38251802 DOI: 10.1063/5.0179278  0.408
2023 Pederson R, Burke K. The difference between molecules and materials: Reassessing the role of exact conditions in density functional theory. The Journal of Chemical Physics. 159. PMID 38054515 DOI: 10.1063/5.0172058  0.372
2023 Yu H, Song S, Nam S, Burke K, Sim E. Density-Corrected Density Functional Theory for Open Shells: How to Deal with Spin Contamination. The Journal of Physical Chemistry Letters. 14: 9230-9237. PMID 37811877 DOI: 10.1021/acs.jpclett.3c02017  0.467
2023 Song S, Vuckovic S, Kim Y, Yu H, Sim E, Burke K. Extending density functional theory with near chemical accuracy beyond pure water. Nature Communications. 14: 799. PMID 36781855 DOI: 10.1038/s41467-023-36094-y  0.763
2022 Argaman N, Redd J, Cancio AC, Burke K. Leading Correction to the Local Density Approximation for Exchange in Large-Z Atoms. Physical Review Letters. 129: 153001. PMID 36269945 DOI: 10.1103/PhysRevLett.129.153001  0.436
2022 Sim E, Song S, Vuckovic S, Burke K. Improving Results by Improving Densities: Density-Corrected Density Functional Theory. Journal of the American Chemical Society. 144: 6625-6639. PMID 35380807 DOI: 10.1021/jacs.1c11506  0.821
2022 Kalita B, Pederson R, Chen J, Li L, Burke K. How Well Does Kohn-Sham Regularizer Work for Weakly Correlated Systems? The Journal of Physical Chemistry Letters. 13: 2540-2547. PMID 35285630 DOI: 10.1021/acs.jpclett.2c00371  0.822
2022 Song S, Vuckovic S, Sim E, Burke K. Density-Corrected DFT Explained: Questions and Answers. Journal of Chemical Theory and Computation. PMID 35048707 DOI: 10.1021/acs.jctc.1c01045  0.809
2021 Nam S, Cho E, Sim E, Burke K. Explaining and Fixing DFT Failures for Torsional Barriers. The Journal of Physical Chemistry Letters. 2796-2804. PMID 33710903 DOI: 10.1021/acs.jpclett.1c00426  0.34
2021 Kalita B, Li L, McCarty RJ, Burke K. Learning to Approximate Density Functionals. Accounts of Chemical Research. PMID 33534553 DOI: 10.1021/acs.accounts.0c00742  0.834
2021 Song S, Vuckovic S, Sim E, Burke K. Density Sensitivity of Empirical Functionals. The Journal of Physical Chemistry Letters. 800-807. PMID 33411542 DOI: 10.1021/acs.jpclett.0c03545  0.79
2020 McCarty RJ, Perchak D, Pederson R, Evans R, Qiu Y, White SR, Burke K. Bypassing the Energy Functional in Density Functional Theory: Direct Calculation of Electronic Energies from Conditional Probability Densities. Physical Review Letters. 125: 266401. PMID 33449722 DOI: 10.1103/PhysRevLett.125.266401  0.805
2020 Brandenburg JG, Burke K, Fromager E, Gatti M, Giarrusso S, Gidopoulos NI, Gori-Giorgi P, Gowland D, Helgaker T, Hodgson MJP, Lacombe L, Levi G, Loos PF, Maitra NT, Maurina Morais E, et al. New approaches to study excited states in density functional theory: general discussion. Faraday Discussions. PMID 33245076 DOI: 10.1039/d0fd90026e  0.842
2020 Sagredo F, Burke K. Confirmation of the PPLB Derivative Discontinuity: Exact Chemical Potential at Finite Temperatures of a Model System. Journal of Chemical Theory and Computation. PMID 33237784 DOI: 10.1021/acs.jctc.0c00711  0.811
2020 Brandenburg JG, Burke K, Cancio A, Erhard J, Fromager E, Ghosal A, Gidopoulos N, Gori-Giorgi P, Helgaker T, Hourahine B, Jacob CR, Kooi D, Maitra N, Mulay MR, Pernal K, et al. New density-functional approximations and beyond: general discussion. Faraday Discussions. PMID 33232402 DOI: 10.1039/d0fd90023k  0.837
2020 Brandenburg JG, Burke K, Civalleri B, Cole DJ, Csányi G, David G, Gidopoulos NI, Gowland D, Helgaker T, Herbst MF, Hourahine B, Irons TJP, Jacob CR, Loos PF, Mehta N, et al. Challenges for large scale simulation: general discussion. Faraday Discussions. PMID 33227116 DOI: 10.1039/d0fd90024a  0.707
2020 Vuckovic S, Burke K. Quantifying and Understanding Errors in Molecular Geometries. The Journal of Physical Chemistry Letters. 11: 9957-9964. PMID 33170683 DOI: 10.1021/acs.jpclett.0c03034  0.706
2020 Bogojeski M, Vogt-Maranto L, Tuckerman ME, Müller KR, Burke K. Quantum chemical accuracy from density functional approximations via machine learning. Nature Communications. 11: 5223. PMID 33067479 DOI: 10.1038/s41467-020-19093-1  0.33
2020 Burke K. Deriving approximate functionals with asymptotics. Faraday Discussions. PMID 32955043 DOI: 10.1039/D0Fd00057D  0.587
2020 Kim Y, Song S, Sim E, Burke K. Correction to "Halogen and Chalcogen Binding Dominated by Density-Driven Errors". The Journal of Physical Chemistry Letters. 8017. PMID 32910852 DOI: 10.1021/Acs.Jpclett.0C02555  0.366
2020 Kaplan AD, Santra B, Bhattarai P, Wagle K, Chowdhury STUR, Bhetwal P, Yu J, Tang H, Burke K, Levy M, Perdew JP. Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory. The Journal of Chemical Physics. 153: 074114. PMID 32828077 DOI: 10.1063/5.0017805  0.597
2020 Nam S, Song S, Sim E, Burke K. Measuring density-driven errors using Kohn-Sham inversion. Journal of Chemical Theory and Computation. PMID 32667787 DOI: 10.1021/Acs.Jctc.0C00391  0.463
2020 Vuckovic S, Fabiano E, Gori-Giorgi P, Burke K. MAP: an MP2 accuracy predictor for weak interactions from adiabatic connection theory. Journal of Chemical Theory and Computation. PMID 32379454 DOI: 10.1021/Acs.Jctc.0C00049  0.802
2020 Burke K. Leading correction to the local density approximation of the kinetic energy in one dimension. The Journal of Chemical Physics. 152: 081102. PMID 32113363 DOI: 10.1063/5.0002287  0.542
2020 Berry MV, Burke K. Exact and approximate energy sums in potential wells Journal of Physics A. 53: 95203. DOI: 10.1088/1751-8121/Ab69A6  0.354
2019 Vuckovic S, Song S, Kozlowski J, Sim E, Burke K. Density functional analysis: The theory of density-corrected DFT. Journal of Chemical Theory and Computation. PMID 31682433 DOI: 10.1021/Acs.Jctc.9B00826  0.836
2019 Burke K, Schaich WL. Anomalous charge oscillations in the dynamical response of metals. Physical Review. B, Condensed Matter. 49: 11397-11404. PMID 10009992 DOI: 10.1103/Physrevb.49.11397  0.316
2019 Burke K, Schaich WL. Crystallinity effects on the surface optical response in metals. Physical Review. B, Condensed Matter. 48: 14599-14607. PMID 10007881 DOI: 10.1103/Physrevb.48.14599  0.305
2019 Akavoor P, Glander GS, Kesmodel LL, Burke K. Angle-resolved electron-energy-loss study of Al/Si(111). Physical Review. B, Condensed Matter. 48: 12063-12071. PMID 10007554 DOI: 10.1103/Physrevb.48.12063  0.379
2019 Burke K, Gumhalter B, Langreth DC. Nearly elastic scattering and the trajectory approximation. Physical Review. B, Condensed Matter. 47: 12852-12864. PMID 10005482 DOI: 10.1103/Physrevb.47.12852  0.325
2018 Kim Y, Song S, Sim E, Burke K. Halogen and Chalcogen Binding Dominated by Density-Driven Errors. The Journal of Physical Chemistry Letters. PMID 30562033 DOI: 10.1021/Acs.Jpclett.8B03745  0.452
2018 Sim E, Song S, Burke K. Quantifying Density Errors in DFT. The Journal of Physical Chemistry Letters. PMID 30335392 DOI: 10.1021/Acs.Jpclett.8B02855  0.511
2018 Ribeiro RF, Burke K. Deriving uniform semiclassical approximations for one-dimensional fermionic systems. The Journal of Chemical Physics. 148: 194103. PMID 30307239 DOI: 10.1063/1.5025628  0.428
2018 Sagredo F, Burke K. Accurate double excitations from ensemble density functional calculations. The Journal of Chemical Physics. 149: 134103. PMID 30292227 DOI: 10.1063/1.5043411  0.851
2018 Cancio A, Chen GP, Krull BT, Burke K. Fitting a round peg into a round hole: Asymptotically correcting the generalized gradient approximation for correlation. The Journal of Chemical Physics. 149: 084116. PMID 30193483 DOI: 10.1063/1.5021597  0.619
2018 Hollingsworth J, Li L, Baker TE, Burke K. Can exact conditions improve machine-learned density functionals? The Journal of Chemical Physics. 148: 241743. PMID 29960336 DOI: 10.1063/1.5025668  0.452
2018 Song S, Kim MC, Sim E, Benali A, Heinonen O, Burke K. Benchmarks and reliable DFT results for spin gaps of small ligand Fe(II) complexes. Journal of Chemical Theory and Computation. PMID 29614856 DOI: 10.1021/Acs.Jctc.7B01196  0.327
2018 Carrascal DJ, Ferrer J, Maitra N, Burke K. Linear response time-dependent density functional theory of the Hubbard dimer European Physical Journal B. 91: 142. DOI: 10.1140/Epjb/E2018-90114-9  0.825
2018 Smith JC, Burke K. Thermal stitching: Combining the advantages of different quantum fermion solvers Physical Review B. 98: 75148. DOI: 10.1103/Physrevb.98.075148  0.411
2018 Baker TE, Burke K, White SR. Accurate correlation energies in one-dimensional systems from small system-adapted basis functions Physical Review B. 97: 85139. DOI: 10.1103/Physrevb.97.085139  0.472
2017 Brockherde F, Vogt L, Li L, Tuckerman ME, Burke K, Müller KR. Bypassing the Kohn-Sham equations with machine learning. Nature Communications. 8: 872. PMID 29021555 DOI: 10.1038/S41467-017-00839-3  0.463
2017 Yang ZH, Pribram-Jones A, Burke K, Ullrich CA. Direct Extraction of Excitation Energies from Ensemble Density-Functional Theory. Physical Review Letters. 119: 033003. PMID 28777595 DOI: 10.1103/Physrevlett.119.033003  0.851
2017 Wasserman A, Nafziger J, Jiang K, Kim MC, Sim E, Burke K. The Importance of Being Inconsistent. Annual Review of Physical Chemistry. 68: 555-581. PMID 28463652 DOI: 10.1146/Annurev-Physchem-052516-044957  0.665
2017 Perdew JP, Yang W, Burke K, Yang Z, Gross EK, Scheffler M, Scuseria GE, Henderson TM, Zhang IY, Ruzsinszky A, Peng H, Sun J, Trushin E, Görling A. Understanding band gaps of solids in generalized Kohn-Sham theory. Proceedings of the National Academy of Sciences of the United States of America. PMID 28265085 DOI: 10.1073/Pnas.1621352114  0.82
2017 Smith JC, Burke K. Interacting Electrons: Theory and Computational Approaches American Journal of Physics. 85: 636-637. DOI: 10.1119/1.4981205  0.361
2017 Ribeiro RF, Burke K. Leading corrections to local approximations II : The case with turning points Physical Review B. 95: 115115. DOI: 10.1103/Physrevb.95.115115  0.518
2017 Carrascal DJ, Ferrer J, Smith JC, Burke K. Corrigendum: The Hubbard dimer: a density functional case study of a many-body problem (2015 J. Phys.: Condens. Matter 27 393001) Journal of Physics: Condensed Matter. 29: 19501. DOI: 10.1088/0953-8984/29/1/019501  0.424
2016 Burke K, Cancio A, Gould T, Pittalis S. Locality of correlation in density functional theory. The Journal of Chemical Physics. 145: 054112. PMID 27497544 DOI: 10.1063/1.4959126  0.569
2016 Pribram-Jones A, Grabowski PE, Burke K. Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem. Physical Review Letters. 116: 233001. PMID 27341227 DOI: 10.1103/Physrevlett.116.233001  0.84
2016 Li L, Baker TE, White SR, Burke K. Pure density functional for strong correlation and the thermodynamic limit from machine learning Physical Review B. 94: 245129. DOI: 10.1103/Physrevb.94.245129  0.519
2016 Smith JC, Pribram-Jones A, Burke K. Exact thermal density functional theory for a model system: Correlation components and accuracy of the zero-temperature exchange-correlation approximation Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.245131  0.832
2016 Pribram-Jones A, Burke K. Connection formulas for thermal density functional theory Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.205140  0.83
2016 Burke K, Smith JC, Grabowski PE, Pribram-Jones A. Exact conditions on the temperature dependence of density functionals Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.195132  0.856
2016 Baker TE, Stoudenmire EM, Wagner LO, Burke K, White SR. Erratum: One-dimensional mimicking of electronic structure: The case for exponentials [Phys. Rev. B 91, 235141 (2015)] Physical Review B. 93: 119912. DOI: 10.1103/Physrevb.93.119912  0.742
2016 Burke K. Improving Electronic Structure Calculations Physics. 9: 108. DOI: 10.1103/Physics.9.108  0.341
2015 Kim MC, Park H, Son S, Sim E, Burke K. Improved DFT Potential Energy Surfaces via Improved Densities. The Journal of Physical Chemistry Letters. 6: 3802-3807. PMID 26722874 DOI: 10.1021/Acs.Jpclett.5B01724  0.499
2015 Carrascal DJ, Ferrer J, Smith JC, Burke K. The Hubbard dimer: a density functional case study of a many-body problem. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 393001. PMID 26380948 DOI: 10.1088/0953-8984/27/39/393001  0.59
2015 Pribram-Jones A, Gross DA, Burke K. DFT: A Theory Full of Holes? Annual Review of Physical Chemistry. 66: 283-304. PMID 25830374 DOI: 10.1146/Annurev-Physchem-040214-121420  0.821
2015 Ribeiro RF, Lee D, Cangi A, Elliott P, Burke K. Corrections to Thomas-Fermi densities at turning points and beyond. Physical Review Letters. 114: 050401. PMID 25699422 DOI: 10.1103/Physrevlett.114.050401  0.844
2015 Liu ZF, Burke K. Density functional description of Coulomb blockade: Adiabatic versus dynamic exchange correlation Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.245158  0.743
2015 Baker TE, Stoudenmire EM, Wagner LO, Burke K, White SR. One-dimensional mimicking of electronic structure: The case for exponentials Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.235141  0.793
2015 Elliott P, Cangi A, Pittalis S, Gross EKU, Burke K. Almost exact exchange at almost no computational cost in electronic structure Physical Review a - Atomic, Molecular, and Optical Physics. 92. DOI: 10.1103/Physreva.92.022513  0.861
2015 Grabowski PE, Burke K. Quantum critical benchmark for electronic structure theory Physical Review a - Atomic, Molecular, and Optical Physics. 91. DOI: 10.1103/Physreva.91.032501  0.801
2015 Yang Y, Burke K, Yang W. Accurate atomic quantum defects from particle–particle random phase approximation Molecular Physics. 1-10. DOI: 10.1080/00268976.2015.1123316  0.423
2015 Li L, Snyder JC, Pelaschier IM, Huang J, Niranjan UN, Duncan P, Rupp M, Müller KR, Burke K. Understanding machine-learned density functionals International Journal of Quantum Chemistry. DOI: 10.1002/Qua.25040  0.526
2015 Vu K, Snyder JC, Li L, Rupp M, Chen BF, Khelif T, Müller KR, Burke K. Understanding kernel ridge regression: Common behaviors from simple functions to density functionals International Journal of Quantum Chemistry. 115: 1115-1128. DOI: 10.1002/Qua.24939  0.502
2015 Snyder JC, Rupp M, Müller KR, Burke K. Nonlinear gradient denoising: Finding accurate extrema from inaccurate functional derivatives International Journal of Quantum Chemistry. 115: 1102-1114. DOI: 10.1002/Qua.24937  0.444
2014 Feinblum DV, Kenison J, Burke K. Communication: Testing and using the Lewin-Lieb bounds in density functional theory. The Journal of Chemical Physics. 141: 241105. PMID 25554126 DOI: 10.1063/1.4904448  0.48
2014 Pribram-Jones A, Yang ZH, Trail JR, Burke K, Needs RJ, Ullrich CA. Excitations and benchmark ensemble density functional theory for two electrons. The Journal of Chemical Physics. 140: 18A541. PMID 24832349 DOI: 10.1063/1.4872255  0.853
2014 Perdew JP, Ruzsinszky A, Sun J, Burke K. Gedanken densities and exact constraints in density functional theory. The Journal of Chemical Physics. 140: 18A533. PMID 24832341 DOI: 10.1063/1.4870763  0.765
2014 Kim MC, Sim E, Burke K. Ions in solution: density corrected density functional theory (DC-DFT). The Journal of Chemical Physics. 140: 18A528. PMID 24832336 DOI: 10.1063/1.4869189  0.588
2014 Wagner LO, Stoudenmire EM, Burke K, White SR. Erratum: Guaranteed Convergence of the Kohn-Sham Equations [Phys. Rev. Lett. 111, 093003 (2013)] Physical Review Letters. 112: 19901. DOI: 10.1103/Physrevlett.112.019901  0.736
2014 Wagner LO, Baker TE, Stoudenmire EM, Burke K, White SR. Kohn-Sham calculations with the exact functional Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.045109  0.822
2014 Yang ZH, Trail JR, Pribram-Jones A, Burke K, Needs RJ, Ullrich CA. Exact and approximate Kohn-Sham potentials in ensemble density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 90. DOI: 10.1103/Physreva.90.042501  0.859
2014 Elliott P, Jensen D, Wasserman A, Burke K. Comment on "application of partition density-functional theory to one-dimensional models" Physical Review a - Atomic, Molecular, and Optical Physics. 89. DOI: 10.1103/Physreva.89.026501  0.848
2013 Snyder JC, Rupp M, Hansen K, Blooston L, Müller KR, Burke K. Orbital-free bond breaking via machine learning. The Journal of Chemical Physics. 139: 224104. PMID 24329053 DOI: 10.1063/1.4834075  0.471
2013 Wagner LO, Stoudenmire EM, Burke K, White SR. Guaranteed convergence of the Kohn-Sham equations. Physical Review Letters. 111: 093003. PMID 24033030 DOI: 10.1103/Physrevlett.111.093003  0.8
2013 Kim MC, Sim E, Burke K. Understanding and reducing errors in density functional calculations. Physical Review Letters. 111: 073003. PMID 23992062 DOI: 10.1103/Physrevlett.111.073003  0.546
2013 Cangi A, Gross EKU, Burke K. Potential functionals versus density functionals Physical Review a - Atomic, Molecular, and Optical Physics. 88. DOI: 10.1103/Physreva.88.062505  0.844
2013 Yang ZH, Burke K. Nonexistence of a Taylor expansion in time due to cusps Physical Review a - Atomic, Molecular, and Optical Physics. 88. DOI: 10.1103/Physreva.88.042514  0.596
2013 Burke K, Wagner LO. DFT in a nutshell International Journal of Quantum Chemistry. 113: 96-101. DOI: 10.1002/Qua.24259  0.796
2012 Stoudenmire EM, Wagner LO, White SR, Burke K. One-dimensional continuum electronic structure with the density-matrix renormalization group and its implications for density-functional theory. Physical Review Letters. 109: 056402. PMID 23006191 DOI: 10.1103/Physrevlett.109.056402  0.833
2012 Snyder JC, Rupp M, Hansen K, Müller KR, Burke K. Finding density functionals with machine learning. Physical Review Letters. 108: 253002. PMID 23004593 DOI: 10.1103/Physrevlett.108.253002  0.495
2012 Wagner LO, Stoudenmire EM, Burke K, White SR. Reference electronic structure calculations in one dimension. Physical Chemistry Chemical Physics : Pccp. 14: 8581-90. PMID 22596085 DOI: 10.1039/C2Cp24118H  0.817
2012 Burke K. Perspective on density functional theory. The Journal of Chemical Physics. 136: 150901. PMID 22519306 DOI: 10.1063/1.4704546  0.52
2012 Bergfield JP, Liu ZF, Burke K, Stafford CA. Bethe ansatz approach to the Kondo effect within density-functional theory. Physical Review Letters. 108: 066801. PMID 22401100 DOI: 10.1103/Physrevlett.108.066801  0.769
2012 Yang ZH, Maitra NT, Burke K. Effect of cusps in time-dependent quantum mechanics. Physical Review Letters. 108: 063003. PMID 22401064 DOI: 10.1103/Physrevlett.108.063003  0.807
2012 Liu ZF, Bergfield JP, Burke K, Stafford CA. Accuracy of density functionals for molecular electronics: The Anderson junction Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.155117  0.563
2011 Pittalis S, Proetto CR, Floris A, Sanna A, Bersier C, Burke K, Gross EK. Exact conditions in finite-temperature density-functional theory. Physical Review Letters. 107: 163001. PMID 22107376 DOI: 10.1103/Physrevlett.107.163001  0.75
2011 Cangi A, Lee D, Elliott P, Burke K, Gross EK. Electronic structure via potential functional approximations. Physical Review Letters. 106: 236404. PMID 21770528 DOI: 10.1103/Physrevlett.106.236404  0.841
2011 Kim MC, Sim E, Burke K. Communication: Avoiding unbound anions in density functional calculations. The Journal of Chemical Physics. 134: 171103. PMID 21548663 DOI: 10.1063/1.3590364  0.563
2011 Vanderbilt D, Ashcroft N, Burke K, Perdew J. Obituary of David Langreth (1937-2011) Physics Today. DOI: 10.1063/Pt.4.1794  0.392
2010 Constantin LA, Snyder JC, Perdew JP, Burke K. Communication: Ionization potentials in the limit of large atomic number. The Journal of Chemical Physics. 133: 241103. PMID 21197968 DOI: 10.1063/1.3522767  0.742
2010 Cangi A, Lee D, Elliott P, Burke K. Leading corrections to local approximations Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.235128  0.842
2010 Elliott P, Burke K, Cohen MH, Wasserman A. Partition density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/Physreva.82.024501  0.847
2010 Maitra NT, Todorov TN, Woodward C, Burke K. Density-potential mapping in time-dependent density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 81. DOI: 10.1103/Physreva.81.042525  0.828
2010 Lee D, Burke K. Finding electron affinities with approximate density functionals Molecular Physics. 108: 2687-2701. DOI: 10.1080/00268976.2010.521776  0.568
2010 Lee D, Furche F, Burke K. Accuracy of electron affinities of atoms in approximate density functional theory Journal of Physical Chemistry Letters. 1: 2124-2129. DOI: 10.1021/Jz1007033  0.727
2009 Elliott P, Cohen MH, Wasserman A, Burke K. Density Functional Partition Theory with Fractional Occupations. Journal of Chemical Theory and Computation. 5: 827-33. PMID 26609589 DOI: 10.1021/Ct9000119  0.85
2009 Liu ZF, Burke K. Adiabatic connection for strictly correlated electrons. The Journal of Chemical Physics. 131: 124124. PMID 19791869 DOI: 10.1063/1.3239472  0.776
2009 Yang ZH, van Faassen M, Burke K. Must Kohn-Sham oscillator strengths be accurate at threshold? The Journal of Chemical Physics. 131: 114308. PMID 19778114 DOI: 10.1063/1.3222638  0.592
2009 van Faassen M, Burke K. Time-dependent density functional theory of high excitations: to infinity, and beyond. Physical Chemistry Chemical Physics : Pccp. 11: 4437-50. PMID 19475161 DOI: 10.1039/B901402K  0.536
2009 Cohen MH, Wasserman A, Car R, Burke K. Charge transfer in partition theory. The Journal of Physical Chemistry. A. 113: 2183-92. PMID 19215125 DOI: 10.1021/Jp807967E  0.586
2009 Lee D, Constantin LA, Perdew JP, Burke K. Condition on the Kohn-Sham kinetic energy and modern parametrization of the Thomas-Fermi density. The Journal of Chemical Physics. 130: 034107. PMID 19173510 DOI: 10.1063/1.3059783  0.613
2009 Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Constantin LA, Zhou X, Burke K. Erratum: Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces [Phys. Rev. Lett.100, 136406 (2008)] Physical Review Letters. 102. DOI: 10.1103/Physrevlett.102.039902  0.585
2009 Liu Z, Burke K. Adiabatic connection in the low-density limit Physical Review A. 79: 64503. DOI: 10.1103/Physreva.79.064503  0.786
2008 Elliott P, Lee D, Cangi A, Burke K. Semiclassical origins of density functionals. Physical Review Letters. 100: 256406. PMID 18643686 DOI: 10.1103/Physrevlett.100.256406  0.862
2008 Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Constantin LA, Zhou X, Burke K. Restoring the density-gradient expansion for exchange in solids and surfaces. Physical Review Letters. 100: 136406. PMID 18517979 DOI: 10.1103/Physrevlett.100.136406  0.627
2008 Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Constantin LA, Zhou X, Burke K. Perdew et al. Reply: Physical Review Letters. 101. DOI: 10.1103/Physrevlett.101.239702  0.4
2008 Pemmaraju CD, Sanvito S, Burke K. Polarizability of molecular chains: A self-interaction correction approach Physical Review B. 77: 121204. DOI: 10.1103/Physrevb.77.121204  0.488
2008 Maitra NT, Van Leeuwen R, Burke K. Comment on "critique of the foundations of time-dependent density-functional theory" Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/Physreva.78.056501  0.752
2008 Koentopp M, Chang C, Burke K, Car R. Density functional calculations of nanoscale conductance Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/8/083203  0.552
2007 Cohen MH, Wasserman A, Burke K. Partition theory: a very simple illustration. The Journal of Physical Chemistry. A. 111: 12447-53. PMID 18052308 DOI: 10.1021/Jp0743370  0.686
2007 van Faassen M, Wasserman A, Engel E, Zhang F, Burke K. Time-dependent density functional calculation of e-H scattering. Physical Review Letters. 99: 043005. PMID 17678362 DOI: 10.1103/Physrevlett.99.043005  0.699
2007 Maitra NT, Burke K. Comment on "Analysis of Floquet formulation of time-dependent density-functional theory"[Chem. Phys. Lett. 433 (2006) 204] Chemical Physics Letters. 441: 167-169. DOI: 10.1016/J.Cplett.2007.04.091  0.82
2006 Perdew JP, Constantin LA, Sagvolden E, Burke K. Relevance of the slowly varying electron gas to atoms, molecules, and solids. Physical Review Letters. 97: 223002. PMID 17155798 DOI: 10.1103/Physrevlett.97.223002  0.657
2006 van Faassen M, Burke K. The quantum defect: the true measure of time-dependent density-functional results for atoms. The Journal of Chemical Physics. 124: 94102. PMID 16526840 DOI: 10.1063/1.2173252  0.468
2006 Koentopp M, Burke K, Evers F. Zero-bias molecular electronics: Exchange-correlation corrections to Landauer's formula Physical Review B. 73: 121403. DOI: 10.1103/Physrevb.73.121403  0.418
2006 Faassen Mv, Burke K. A new challenge for time-dependent density functional theory Chemical Physics Letters. 431: 410-414. DOI: 10.1016/J.Cplett.2006.09.095  0.447
2006 Gebauer R, Burke K, Car R. Kohn-Sham master equation approach to transport through single molecules Lecture Notes in Physics. 706: 463-477. DOI: 10.1007/3-540-35426-3_31  0.417
2006 Appel H, Gross EKU, Burke K. Double-pole approximation in time-dependent density functional theory International Journal of Quantum Chemistry. 106: 2840-2847. DOI: 10.1002/Qua.20964  0.539
2005 Scherz A, Gross EK, Appel H, Sorg C, Baberschke K, Wende H, Burke K. Measuring the kernel of time-dependent density functional theory with x-ray absorption spectroscopy of transition metals. Physical Review Letters. 95: 253006. PMID 16384459 DOI: 10.1103/Physrevlett.95.253006  0.711
2005 Wasserman A, Burke K. Rydberg transition frequencies from the local density approximation. Physical Review Letters. 95: 163006. PMID 16241796 DOI: 10.1103/Physrevlett.95.163006  0.685
2005 Toher C, Filippetti A, Sanvito S, Burke K. Self-interaction errors in density-functional calculations of electronic transport. Physical Review Letters. 95: 146402. PMID 16241675 DOI: 10.1103/Physrevlett.95.146402  0.425
2005 Burke K, Werschnik J, Gross EK. Time-dependent density functional theory: past, present, and future. The Journal of Chemical Physics. 123: 62206. PMID 16122292 DOI: 10.1063/1.1904586  0.756
2005 Burke K, Car R, Gebauer R. Density functional theory of the electrical conductivity of molecular devices. Physical Review Letters. 94: 146803. PMID 15904091 DOI: 10.1103/Physrevlett.94.146803  0.484
2005 Wasserman A, Maitra NT, Burke K. Continuum states from time-dependent density functional theory. The Journal of Chemical Physics. 122: 144103. PMID 15847512 DOI: 10.1063/1.1877052  0.84
2005 Whittingham TK, Burke K. Relations between coordinate and potential scaling in the high-density limit. The Journal of Chemical Physics. 122: 134108. PMID 15847456 DOI: 10.1063/1.1872832  0.844
2005 Fuchs M, Niquet YM, Gonze X, Burke K. Describing static correlation in bond dissociation by Kohn-Sham density functional theory. The Journal of Chemical Physics. 122: 094116. PMID 15836121 DOI: 10.1063/1.1858371  0.49
2005 Burke K, Car R, Gebauer R. Publisher’s Note: Density Functional Theory of the Electrical Conductivity of Molecular Devices [Phys. Rev. Lett.94, 146803 (2005)] Physical Review Letters. 94. DOI: 10.1103/Physrevlett.94.159901  0.441
2005 Dion M, Burke K. Coordinate scaling in time-dependent current-density-functional theory Physical Review A. 72: 20502. DOI: 10.1103/Physreva.72.020502  0.568
2005 Furche F, Burke K. Chapter 2 Time-Dependent Density Functional Theoryin Quantum Chemistry Annual Reports in Computational Chemistry. 1: 19-30. DOI: 10.1016/S1574-1400(05)01002-9  0.679
2004 Gaudoin R, Burke K. Lack of Hohenberg-Kohn theorem for excited states. Physical Review Letters. 93: 173001. PMID 15525070 DOI: 10.1103/Physrevlett.93.173001  0.431
2004 Maitra NT, Zhang F, Cave RJ, Burke K. Double excitations within time-dependent density functional theory linear response. The Journal of Chemical Physics. 120: 5932-7. PMID 15267474 DOI: 10.1063/1.1651060  0.809
2004 Ullrich CA, Burke K. Excitation energies from time-dependent density-functional theory beyond the adiabatic approximation. The Journal of Chemical Physics. 121: 28-35. PMID 15260519 DOI: 10.1063/1.1756865  0.552
2004 Magyar RJ, Burke K. Density-functional theory in one dimension for contact-interacting fermions Physical Review a - Atomic, Molecular, and Optical Physics. 70: 032508-1-032508-8. DOI: 10.1103/Physreva.70.032508  0.839
2004 Zhang F, Burke K. Adiabatic connection for near degenerate excited states Physical Review A. 69: 52510. DOI: 10.1103/Physreva.69.052510  0.48
2004 Cave RJ, Zhang F, Maitra NT, Burke K. A dressed TDDFT treatment of the 21Ag states of butadiene and hexatriene Chemical Physics Letters. 389: 39-42. DOI: 10.1016/J.Cplett.2004.03.051  0.776
2003 Wasserman A, Maitra NT, Burke K. Accurate Rydberg excitations from the local density approximation. Physical Review Letters. 91: 263001. PMID 14754047 DOI: 10.1103/Physrevlett.91.263001  0.818
2003 Appel H, Gross EK, Burke K. Excitations in time-dependent density-functional theory. Physical Review Letters. 90: 043005. PMID 12570418 DOI: 10.1103/Physrevlett.90.043005  0.762
2003 Maitra NT, Souza I, Burke K. Current-density functional theory of the response of solids Physical Review B. 68: 45109. DOI: 10.1103/Physrevb.68.045109  0.822
2003 Magyar RJ, Terilla W, Burke K. Accurate adiabatic connection curve beyond the physical interaction strength Journal of Chemical Physics. 119: 696-700. DOI: 10.1063/1.1579465  0.752
2003 Sim E, Larkin J, Burke K, Bock CW. Testing the kinetic energy functional: Kinetic energy density as a density functional Journal of Chemical Physics. 118: 8140-8148. DOI: 10.1063/1.1565316  0.56
2002 Maitra NT, Burke K, Woodward C. Memory in time-dependent density functional theory. Physical Review Letters. 89: 023002. PMID 12096991 DOI: 10.1103/Physrevlett.89.023002  0.819
2002 Andersson T, Althoff F, Linde P, Andersson S, Burke K. Probing a cold surface with slow heavy-atom scattering: Experimental results and theoretical calculations Physical Review B. 65: 45409. DOI: 10.1103/Physrevb.65.045409  0.338
2002 Magyar RJ, Whittingham TK, Burke K. Scaling the spin densities separately in density-functional theory Physical Review A. 66: 22105. DOI: 10.1103/Physreva.66.022105  0.798
2002 Hessler P, Maitra NT, Burke K. Correlation in time-dependent density-functional theory Journal of Chemical Physics. 117: 72-81. DOI: 10.1063/1.1479349  0.819
2002 Cave RJ, Burke K, Castner EW. Theoretical investigation of the ground and excited states of coumarin 151 and coumarin 120 Journal of Physical Chemistry A. 106: 9294-9305. DOI: 10.1021/Jp026071X  0.411
2002 Wasserman A, Burke K. A Guided Tour of Mathematical Methods for the Physical Sciences Materials Research Bulletin. 37: 1023. DOI: 10.1016/S0025-5408(02)00723-7  0.523
2002 Maitra NT, Burke K. On the floquet formulation of time-dependent density functional theory Chemical Physics Letters. 359: 237-240. DOI: 10.1016/S0009-2614(02)00586-9  0.816
2001 Maitra NT, Burke K. Erratum: Demonstration of initial-state dependence in time-dependent density-functional theory (Phys. Rev. A (2001) 63 (042501)) Physical Review A. 64. DOI: 10.1103/Physreva.64.039901  0.822
2001 Maitra NT, Burke K. Demonstration of initial-state dependence in time-dependent density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 63: 1-7. DOI: 10.1103/Physreva.63.042501  0.824
2001 Hirata S, Ivanov S, Grabowski I, Bartlett RJ, Burke K, Talman JD. Can optimized effective potentials be determined uniquely? The Journal of Chemical Physics. 115: 1635-1649. DOI: 10.1063/1.1381013  0.358
2001 Katriel J, Zahariev F, Burke K. Symmetry and degeneracy in density functional theory International Journal of Quantum Chemistry. 85: 432-435. DOI: 10.1002/Qua.1526  0.447
2000 Frydel D, Terilla WM, Burke K. Adiabatic connection from accurate wave-function calculations Journal of Chemical Physics. 112: 5292-5297. DOI: 10.1063/1.481099  0.481
2000 Cohen MH, Frydel D, Burke K, Engel E. Total energy density as an interpretative tool The Journal of Chemical Physics. 113: 2990-2994. DOI: 10.1063/1.1286805  0.539
2000 Petersilka M, Gross EKU, Burke K. Excitation energies from time-dependent density functional theory using exact and approximate potentials International Journal of Quantum Chemistry. 80: 534-554. DOI: 10.1002/1097-461X(2000)80:4/5<534::Aid-Qua3>3.0.Co;2-V  0.573
1999 Hessler P, Park J, Burke K. Erratum: Several Theorems in Time-Dependent Density Functional Theory [Phys. Rev. Lett. 82, 378 (1999)] Physical Review Letters. 83: 5184-5184. DOI: 10.1103/Physrevlett.83.5184  0.553
1999 Hessler P, Park J, Burke K. Several Theorems in Time-Dependent Density Functional Theory Physical Review Letters. 82: 378-381. DOI: 10.1103/Physrevlett.82.378  0.584
1999 Ivanov S, Burke K, Levy M. Exact high-density limit of correlation potential for two-electron density Journal of Chemical Physics. 110: 10262-10268. DOI: 10.1063/1.478959  0.415
1998 Perdew JP, Burke K, Ernzerhof M. Perdew, Burke, and Ernzerhof Reply: Physical Review Letters. 80: 891-891. DOI: 10.1103/Physrevlett.80.891  0.532
1998 Perdew JP, Burke K, Wang Y. Erratum: Generalized gradient approximation for the exchange-correlation hole of a many-electron system [Phys. Rev. B54, 16 533 (1996)] Physical Review B. 57: 14999-14999. DOI: 10.1103/Physrevb.57.14999  0.532
1998 Burke K, Cruz FG, Lam K. Unambiguous exchange-correlation energy density Journal of Chemical Physics. 109: 8161-8167. DOI: 10.1063/1.477479  0.557
1998 Burke K, Perdew JP, Ernzerhof M. Why semilocal functionals work: Accuracy of the on-top pair density and importance of system averaging Journal of Chemical Physics. 109: 3760-3771. DOI: 10.1063/1.476976  0.692
1998 Perdew JP, Ernzerhof M, Zupan A, Burke K. Nonlocality of the density functional for exchange and correlation: Physical origins and chemical consequences Journal of Chemical Physics. 108: 1522-1531. DOI: 10.1063/1.475524  0.662
1998 Cruz FG, Lam K, Burke K. Exchange-Correlation Energy Density from Virial Theorem Journal of Physical Chemistry A. 102: 4911-4917. DOI: 10.1021/Jp980950V  0.512
1998 Perdew JP, Ernzerhof M, Zupan A, Burke K. Why Density-Gradient Corrections Improve Atomization Energies and Barrier Heights Advances in Quantum Chemistry. 33: 1-9. DOI: 10.1016/S0065-3276(08)60426-8  0.654
1998 Burke K, Cruz FG, Lam K. Unambiguous Exchange-Correlation Energy Density For Hooke'S Atom International Journal of Quantum Chemistry. 70: 583-589. DOI: 10.1002/(Sici)1097-461X(1998)70:4/5<583::Aid-Qua4>3.0.Co;2-R  0.552
1998 Lam K, Cruz FG, Burke K. Virial Exchange-Correlation Energy Density In Hooke'S Atom International Journal of Quantum Chemistry. 69: 533-540. DOI: 10.1002/(Sici)1097-461X(1998)69:4<533::Aid-Qua10>3.0.Co;2-0  0.521
1997 Perdew JP, Burke K, Ernzerhof M. Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] Physical Review Letters. 78: 1396-1396. DOI: 10.1103/Physrevlett.78.1396  0.545
1997 Zupan A, Burke K, Ernzerhof M, Perdew JP. Distributions and averages of electron density parameters: Explaining the effects of gradient corrections Journal of Chemical Physics. 106: 10184-10193. DOI: 10.1063/1.474101  0.63
1997 Burke K, Ernzerhof M, Perdew JP. The adiabatic connection method: a non-empirical hybrid Chemical Physics Letters. 265: 115-120. DOI: 10.1016/S0009-2614(96)01373-5  0.555
1997 Ernzerhof M, Perdew JP, Burke K. Coupling-Constant Dependence Of Atomization Energies International Journal of Quantum Chemistry. 64: 285-295. DOI: 10.1002/(Sici)1097-461X(1997)64:3<285::Aid-Qua2>3.0.Co;2-S  0.615
1997 Zupan A, Perdew JP, Burke K, Causà M. Density-Gradient Analysis for Density Functional Theory: Application to Atoms* International Journal of Quantum Chemistry. 61: 835-845. DOI: 10.1002/(Sici)1097-461X(1997)61:5<835::Aid-Qua9>3.0.Co;2-X  0.648
1997 Burke K, Perdew UJP, Ernzerhof M. Why the generalized gradient approximation works and how to go beyond it International Journal of Quantum Chemistry. 61: 287-293. DOI: 10.1002/(Sici)1097-461X(1997)61:2<287::Aid-Qua11>3.0.Co;2-9  0.521
1997 Perdew JP, Ernzerhof M, Burke K, Savin A. On-top pair-density interpretation of spin density functional theory, with applications to magnetism International Journal of Quantum Chemistry. 61: 197-205. DOI: 10.1002/(Sici)1097-461X(1997)61:2<197::Aid-Qua2>3.0.Co;2-R  0.639
1996 Perdew JP, Burke K, Ernzerhof M. Generalized Gradient Approximation Made Simple. Physical Review Letters. 77: 3865-3868. PMID 10062328 DOI: 10.1103/Physrevlett.77.3865  0.702
1996 Perdew JP, Burke K, Wang Y. Generalized gradient approximation for the exchange-correlation hole of a many-electron system. Physical Review. B, Condensed Matter. 54: 16533-16539. PMID 9985776 DOI: 10.1103/Physrevb.54.16533  0.522
1996 Burke K, Perdew JP, Levy M. Improving energies by using exact electron densities. Physical Review. A. 53: R2915-R2917. PMID 9913323 DOI: 10.1103/Physreva.53.R2915  0.668
1996 Perdew JP, Ernzerhof M, Burke K. Rationale for mixing exact exchange with density functional approximations Journal of Chemical Physics. 105: 9982-9985. DOI: 10.1063/1.472933  0.677
1996 Ernzerhof M, Burke K, Perdew JP. Long-range asymptotic behavior of ground-state wave functions, one-matrices, and pair densities Journal of Chemical Physics. 105: 2798-2803. DOI: 10.1063/1.472142  0.588
1996 Ernzerhof M, Burke K, Perdew JP. Density functional theory, the exchange hole, and the molecular bond Theoretical and Computational Chemistry. 4: 207-238. DOI: 10.1016/S1380-7323(96)80088-4  0.644
1996 Ernzerhof M, Perdew JP, Burke K. Density Functionals: Where Do They Come from, Why Do They Work? Topics in Current Chemistry. 180: 1-30. DOI: 10.1007/3-540-61091-X_1  0.674
1996 Perdew JP, Burke K. Comparison shopping for a gradient-corrected density functional International Journal of Quantum Chemistry. 57: 309-319. DOI: 10.1002/(Sici)1097-461X(1996)57:3<309::Aid-Qua4>3.0.Co;2-1  0.684
1995 Perdew JP, Savin A, Burke K. Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory. Physical Review. A. 51: 4531-4541. PMID 9912142 DOI: 10.1103/Physreva.51.4531  0.643
1995 BURKE K, PERDEW JP. DENSITY FUNCTIONALS AND SMALL INTERPARTICLE SEPARATIONS IN ELECTRONIC SYSTEMS Modern Physics Letters B. 9: 829-838. DOI: 10.1142/S0217984995000784  0.672
1995 Burke K, Perdew JP, Levy M. Nonlocal Density Functionals for Exchange and Correlation: Theory and Applications Theoretical and Computational Chemistry. 2: 47-66. DOI: 10.1007/978-94-011-0487-6_2  0.7
1995 Burke K, Perdew JP. Real-space analysis of the exchange-correlation energy International Journal of Quantum Chemistry. 56: 199-210. DOI: 10.1002/Qua.560560403  0.627
1994 Burke K, Perdew JP, Langreth DC. Is the local density approximation exact for short wavelength fluctuations? Physical Review Letters. 73: 1283-1286. PMID 10057671 DOI: 10.1103/Physrevlett.73.1283  0.612
1994 DiRubio CA, Goodstein DM, Cooper BH, Burke K. Limitations of the trajectory approximation in atom-surface scattering. Physical Review Letters. 73: 2768-2771. PMID 10057187 DOI: 10.1103/Physrevlett.73.2768  0.323
1994 Burke K, Angulo JC, Perdew JP. Validity of the extended electron-electron cusp condition. Physical Review. A. 50: 297-304. PMID 9910892 DOI: 10.1103/Physreva.50.297  0.577
1991 Burke K, Kohn W. Finite Debye-Waller factor for "classical" atom-surface scattering. Physical Review. B, Condensed Matter. 43: 2477-2489. PMID 9997537 DOI: 10.1103/Physrevb.43.2477  0.532
1991 Burke K, Jensen J, Kohn W. Exploration of surfaces by atomic scattering in the almost classical regime Surface Science. 241: 211-224. DOI: 10.1016/0039-6028(91)90225-H  0.661
Show low-probability matches.