John P. Perdew - Publications

Affiliations: 
Physics and Chemistry Temple University, Philadelphia, PA, United States 
Area:
density-functional theory of electronic structure
Website:
https://phys.cst.temple.edu/~perdew/

289 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
2019 Zhang Y, Lane C, Furness JW, Barbiellini B, Perdew JP, Markiewicz RS, Bansil A, Sun J. Competing stripe and magnetic phases in the cuprates from first principles. Proceedings of the National Academy of Sciences of the United States of America. PMID 31843896 DOI: 10.1073/pnas.1910411116  0.96
2019 Zope RR, Yamamoto Y, Diaz CM, Baruah T, Peralta JE, Jackson KA, Santra B, Perdew JP. A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. The Journal of Chemical Physics. 151: 214108. PMID 31822080 DOI: 10.1063/1.5129533  0.96
2019 Yasini P, Afsari S, Peng H, Pikma P, Perdew JP, Borguet E. Potential-Induced High-Conductance Transport Pathways through Single-Molecule Junctions. Journal of the American Chemical Society. 141: 10109-10116. PMID 31244139 DOI: 10.1021/jacs.9b05448  0.72
2019 Afsari Mamaghani S, Yasini P, Peng H, Perdew JP, Borguet E. Anisotropic conductivity at the single molecule scale. Angewandte Chemie (International Ed. in English). PMID 31237983 DOI: 10.1002/anie.201903898  0.72
2019 Santra B, Perdew JP. Perdew-Zunger self-interaction correction: How wrong for uniform densities and large-Z atoms? The Journal of Chemical Physics. 150: 174106. PMID 31067900 DOI: 10.1063/1.5090534  0.96
2019 Shahi C, Bhattarai P, Wagle K, Santra B, Schwalbe S, Hahn T, Kortus J, Jackson KA, Peralta JE, Trepte K, Lehtola S, Nepal NK, Myneni H, Neupane B, Adhikari S, ... ... Perdew JP, et al. Stretched or noded orbital densities and self-interaction correction in density functional theory. The Journal of Chemical Physics. 150: 174102. PMID 31067878 DOI: 10.1063/1.5087065  0.96
2018 Ospadov E, Tao J, Staroverov VN, Perdew JP. Visualizing atomic sizes and molecular shapes with the classical turning surface of the Kohn-Sham potential. Proceedings of the National Academy of Sciences of the United States of America. PMID 30463943 DOI: 10.1073/pnas.1814300115  1
2018 Tao J, Perdew JP, Tang H, Shahi C. Origin of the size-dependence of the equilibrium van der Waals binding between nanostructures. The Journal of Chemical Physics. 148: 074110. PMID 29471641 DOI: 10.1063/1.5018572  1
2017 Patra A, Bates JE, Sun J, Perdew JP. Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality. Proceedings of the National Academy of Sciences of the United States of America. PMID 29042509 DOI: 10.1073/pnas.1713320114  1
2017 Chen M, Ko HY, Remsing RC, Calegari Andrade MF, Santra B, Sun Z, Selloni A, Car R, Klein ML, Perdew JP, Wu X. Ab initio theory and modeling of water. Proceedings of the National Academy of Sciences of the United States of America. PMID 28973868 DOI: 10.1073/pnas.1712499114  0.96
2017 Peng H, McKendry IG, Ding R, Thenuwara AC, Kang Q, Shumlas SL, Strongin DR, Zdilla MJ, Perdew JP. Redox properties of birnessite from a defect perspective. Proceedings of the National Academy of Sciences of the United States of America. PMID 28827355 DOI: 10.1073/pnas.1706836114  0.72
2017 Medvedev MG, Bushmarinov IS, Sun J, Perdew JP, Lyssenko KA. Response to Comment on "Density functional theory is straying from the path toward the exact functional". Science (New York, N.Y.). 356: 496. PMID 28473558 DOI: 10.1126/science.aam9550  0.96
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  0.96
2017 Medvedev MG, Bushmarinov IS, Sun J, Perdew JP, Lyssenko KA. Density functional theory is straying from the path toward the exact functional. Science (New York, N.Y.). 355: 49-52. PMID 28059761 DOI: 10.1126/science.aah5975  0.96
2016 Zhang IY, Rinke P, Perdew JP, Scheffler M. Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation. Physical Review Letters. 117: 133002. PMID 27715089 DOI: 10.1103/PhysRevLett.117.133002  0.68
2016 Sun J, Remsing RC, Zhang Y, Sun Z, Ruzsinszky A, Peng H, Yang Z, Paul A, Waghmare U, Wu X, Klein ML, Perdew JP. Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional. Nature Chemistry. 8: 831-6. PMID 27554409 DOI: 10.1038/nchem.2535  1
2016 Sun J, Perdew JP, Yang Z, Peng H. Erratum: "Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems" [J. Chem. Phys. 144, 191101 (2016)]. The Journal of Chemical Physics. 145: 019902. PMID 27394128 DOI: 10.1063/1.4955444  0.96
2016 Sun J, Perdew JP, Yang Z, Peng H. Communication: Near-locality of exchange and correlation density functionals for 1- and 2-electron systems. The Journal of Chemical Physics. 144: 191101. PMID 27208927 DOI: 10.1063/1.4950845  0.96
2016 Yu L, Ruzsinszky A, Perdew JP. Bending Two-Dimensional Materials To Control Charge Localization and Fermi-Level Shift. Nano Letters. PMID 26938458 DOI: 10.1021/acs.nanolett.5b05303  1
2016 Perdew JP, Sun J, Ruzsinszky A, Mezei PD, Csonka GI. Why density functionals should not be judged primarily by atomization energies Periodica Polytechnica: Chemical Engineering. 60: 2-7. DOI: 10.3311/PPch.8356  1
2016 Perdew JP, Sun J, Martin RM, Delley B. Semilocal density functionals and constraint satisfaction International Journal of Quantum Chemistry. DOI: 10.1002/qua.25100  1
2015 Sun J, Ruzsinszky A, Perdew JP. Strongly Constrained and Appropriately Normed Semilocal Density Functional. Physical Review Letters. 115: 036402. PMID 26230809  0.96
2015 Patra A, Xiao B, Perdew JP. Short-range cut-off of the summed-up van der waals series: rare-gas dimers. Topics in Current Chemistry. 365: 53-80. PMID 25896440 DOI: 10.1007/128_2015_625  1
2015 Tao J, Fang Y, Hao P, Scuseria GE, Ruzsinszky A, Perdew JP. Van der Waals coefficients beyond the classical shell model. The Journal of Chemical Physics. 142: 024312. PMID 25591358 DOI: 10.1063/1.4905259  1
2015 Tao J, Fang Y, Hao P, Scuseria GE, Ruzsinszky A, Perdew JP. Van der Waals coefficients beyond the classical shell model. The Journal of Chemical Physics. 142: 024312. PMID 25591358 DOI: 10.1063/1.4905259  1
2015 Sun J, Perdew JP, Ruzsinszky A. Semilocal density functional obeying a strongly tightened bound for exchange. Proceedings of the National Academy of Sciences of the United States of America. 112: 685-9. PMID 25561554 DOI: 10.1073/pnas.1423145112  0.96
2015 Garza AJ, Bulik IW, Alencar AGS, Sun J, Perdew JP, Scuseria GE. Combinations of coupled cluster, density functionals, and the random phase approximation for describing static and dynamic correlation, and van der Waals interactions Molecular Physics. 1-21. DOI: 10.1080/00268976.2015.1123315  1
2015 Garza AJ, Scuseria GE, Ruzsinszky A, Sun J, Perdew JP. The two pillars: density and spin-density functional theories Molecular Physics. 1-4. DOI: 10.1080/00268976.2015.1114165  1
2015 Sun J, Perdew JP, Ruzsinszky A. Semilocal density functional obeying a strongly tightened bound for exchange Proceedings of the National Academy of Sciences of the United States of America. 112: 685-689. DOI: 10.1073/pnas.1423145112  1
2015 Perdew JP, Ruzsinszky A, Sun J, Pederson MR. Paradox of Self-Interaction Correction: How Can Anything So Right Be So Wrong? Advances in Atomic, Molecular and Optical Physics. DOI: 10.1016/bs.aamop.2015.06.004  1
2015 Perdew JP, Ruzsinszky A, Sun J, Pederson MR. Paradox of Self-Interaction Correction: How Can Anything So Right Be So Wrong? Advances in Atomic, Molecular and Optical Physics. DOI: 10.1016/bs.aamop.2015.06.004  1
2014 Tao J, Perdew JP. Communication: Non-additivity of van der Waals interactions between nanostructures. The Journal of Chemical Physics. 141: 141101. PMID 25318707 DOI: 10.1063/1.4897957  1
2014 Tao J, Perdew JP. Communication: Non-additivity of van der Waals interactions between nanostructures. The Journal of Chemical Physics. 141: 141101. PMID 25318707 DOI: 10.1063/1.4897957  1
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  0.96
2014 Pederson MR, Ruzsinszky A, Perdew JP. Communication: self-interaction correction with unitary invariance in density functional theory. The Journal of Chemical Physics. 140: 121103. PMID 24697415 DOI: 10.1063/1.4869581  0.92
2014 Xiao B, Sun J, Ruzsinszky A, Perdew JP. Testing the Jacob's ladder of density functionals for electronic structure and magnetism of rutile VO2 Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/PhysRevB.90.085134  1
2014 Pederson MR, Ruzsinszky A, Perdew JP. Communication: Self-interaction correction with unitary invariance in density functional theory Journal of Chemical Physics. 140. DOI: 10.1063/1.4869581  1
2014 Pederson MR, Ruzsinszky A, Perdew JP. Communication: Self-interaction correction with unitary invariance in density functional theory Journal of Chemical Physics. 140. DOI: 10.1063/1.4869581  0.92
2013 Hao P, Sun J, Xiao B, Ruzsinszky A, Csonka GI, Tao J, Glindmeyer S, Perdew JP. Performance of meta-GGA Functionals on General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions. Journal of Chemical Theory and Computation. 9: 355-63. PMID 26589038 DOI: 10.1021/ct300868x  1
2013 Sun J, Xiao B, Fang Y, Haunschild R, Hao P, Ruzsinszky A, Csonka GI, Scuseria GE, Perdew JP. Density functionals that recognize covalent, metallic, and weak bonds. Physical Review Letters. 111: 106401. PMID 25166685  1
2013 Sun J, Haunschild R, Xiao B, Bulik IW, Scuseria GE, Perdew JP. Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence. The Journal of Chemical Physics. 138: 044113. PMID 23387574 DOI: 10.1063/1.4789414  1
2013 Perdew JP, Ruzsinszky A. Understanding thomas-fermi-like approximations: Averaging over oscillating occupied orbitals Discrete and Continuous Dynamical Systems- Series A. 33: 5319-5325. DOI: 10.3934/dcds.2013.33.5319  1
2013 Perdew JP, Ruzsinszky A. Understanding thomas-fermi-like approximations: Averaging over oscillating occupied orbitals Discrete and Continuous Dynamical Systems- Series A. 33: 5319-5325. DOI: 10.3934/dcds.2013.33.5319  0.92
2013 Perdew JP. Climbing the ladder of density functional approximations Mrs Bulletin. 38: 743-750. DOI: 10.1557/mrs.2013.178  1
2013 Tao J, Perdew JP, Ruzsinszky A. Long-range van der waals interaction International Journal of Modern Physics B. 27. DOI: 10.1142/S0217979213300119  1
2013 Tao J, Perdew JP, Ruzsinszky A. Long-range van der waals interaction International Journal of Modern Physics B. 27. DOI: 10.1142/S0217979213300119  1
2013 Sun J, Xiao B, Fang Y, Haunschild R, Hao P, Ruzsinszky A, Csonka GI, Scuseria GE, Perdew JP. Density functionals that recognize covalent, metallic, and weak bonds Physical Review Letters. 111. DOI: 10.1103/PhysRevLett.111.106401  1
2013 Sun J, Xiao B, Fang Y, Haunschild R, Hao P, Ruzsinszky A, Csonka GI, Scuseria GE, Perdew JP. Density functionals that recognize covalent, metallic, and weak bonds Physical Review Letters. 111. DOI: 10.1103/PhysRevLett.111.106401  1
2013 Xiao B, Sun J, Ruzsinszky A, Feng J, Haunschild R, Scuseria GE, Perdew JP. Testing density functionals for structural phase transitions of solids under pressure: Si, SiO2, and Zr Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/PhysRevB.88.184103  1
2013 Xiao B, Sun J, Ruzsinszky A, Feng J, Haunschild R, Scuseria GE, Perdew JP. Testing density functionals for structural phase transitions of solids under pressure: Si, SiO2, and Zr Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/PhysRevB.88.184103  1
2013 Fang Y, Xiao B, Tao J, Sun J, Perdew JP. Ice phases under ambient and high pressure: Insights from density functional theory Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/PhysRevB.87.214101  1
2013 Hao P, Sun J, Xiao B, Ruzsinszky A, Csonka GI, Tao J, Glindmeyer S, Perdew JP. Performance of meta-GGA functionals on general main group thermochemistry, kinetics, and noncovalent interactions Journal of Chemical Theory and Computation. 9: 355-363. DOI: 10.1021/ct300868x  1
2012 Ruzsinszky A, Perdew JP, Tao J, Csonka GI, Pitarke JM. Van der waals coefficients for nanostructures: fullerenes defy conventional wisdom. Physical Review Letters. 109: 233203. PMID 23368198  1
2012 Haunschild R, Perdew JP, Scuseria GE. Insensitivity of the error of the minimally empirical hybrid functional revTPSSh to its parameters. The Journal of Chemical Physics. 137: 224104. PMID 23248984 DOI: 10.1063/1.4769790  0.72
2012 Perdew JP, Tao J, Hao P, Ruzsinszky A, Csonka GI, Pitarke JM. Spherical-shell model for the vanderWaals coefficients between fullerenes and/or nearly spherical nanoclusters Journal of Physics Condensed Matter. 24. PMID 23032569 DOI: 10.1088/0953-8984/24/42/424207  1
2012 Haunschild R, Odashima MM, Scuseria GE, Perdew JP, Capelle K. Hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound: implementation via local hybrids and thermochemical assessment. The Journal of Chemical Physics. 136: 184102. PMID 22583272 DOI: 10.1063/1.4712017  0.72
2012 Tao J, Perdew JP, Ruzsinszky A. Accurate van der Waals coefficients from density functional theory. Proceedings of the National Academy of Sciences of the United States of America. 109: 18-21. PMID 22205765 DOI: 10.1073/pnas.1118245108  1
2012 Ruzsinszky A, Perdew JP, Tao J, Csonka GI, Pitarke JM. Van der waals coefficients for nanostructures: Fullerenes defy conventional wisdom Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.233203  1
2012 Ruzsinszky A, Perdew JP, Tao J, Csonka GI, Pitarke JM. Van der waals coefficients for nanostructures: Fullerenes defy conventional wisdom Physical Review Letters. 109. DOI: 10.1103/PhysRevLett.109.233203  1
2012 Xiao B, Sun J, Ruzsinszky A, Feng J, Perdew JP. Structural phase transitions in Si and SiO 2 crystals via the random phase approximation Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/PhysRevB.86.094109  1
2012 Hao P, Fang Y, Sun J, Csonka GI, Philipsen PHT, Perdew JP. Lattice constants from semilocal density functionals with zero-point phonon correction Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/PhysRevB.85.014111  1
2012 Perdew JP, Ruzsinszky A, Sun J, Glindmeyer S, Csonka GI. Van der Waals interaction as a summable asymptotic series Physical Review a - Atomic, Molecular, and Optical Physics. 86. DOI: 10.1103/PhysRevA.86.062714  1
2012 Perdew JP, Ruzsinszky A, Sun J, Glindmeyer S, Csonka GI. Van der Waals interaction as a summable asymptotic series Physical Review a - Atomic, Molecular, and Optical Physics. 86. DOI: 10.1103/PhysRevA.86.062714  1
2012 Tao J, Perdew JP, Ruzsinszky A. Accurate van der Waals coefficients from density functional theory Proceedings of the National Academy of Sciences of the United States of America. 109: 18-21. DOI: 10.1073/pnas.1118245108  1
2012 Haunschild R, Perdew JP, Scuseria GE. Insensitivity of the error of the minimally empirical hybrid functional revTPSSh to its parameters Journal of Chemical Physics. 137. DOI: 10.1063/1.4769790  1
2012 Haunschild R, Perdew JP, Scuseria GE. Insensitivity of the error of the minimally empirical hybrid functional revTPSSh to its parameters Journal of Chemical Physics. 137. DOI: 10.1063/1.4769790  0.72
2012 Haunschild R, Odashima MM, Scuseria GE, Perdew JP, Capelle K. Hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound: Implementation via local hybrids and thermochemical assessment Journal of Chemical Physics. 136. DOI: 10.1063/1.4712017  1
2011 Ruzsinszky A, Perdew JP, Csonka GI. A simple but fully nonlocal correction to the random phase approximation. The Journal of Chemical Physics. 134: 114110. PMID 21428610 DOI: 10.1063/1.3569483  0.92
2011 Sun J, Marsman M, Csonka GI, Ruzsinszky A, Hao P, Kim YS, Kresse G, Perdew JP. Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.035117  1
2011 Sun J, Marsman M, Csonka GI, Ruzsinszky A, Hao P, Kim YS, Kresse G, Perdew JP. Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/PhysRevB.84.035117  0.96
2011 Sun J, Marsman M, Ruzsinszky A, Kresse G, Perdew JP. Improved lattice constants, surface energies, and CO desorption energies from a semilocal density functional Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.121410  1
2011 Sun J, Marsman M, Ruzsinszky A, Kresse G, Perdew JP. Improved lattice constants, surface energies, and CO desorption energies from a semilocal density functional Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.121410  0.96
2011 Ruzsinszky A, Perdew JP, Csonka GI. A simple but fully nonlocal correction to the random phase approximation Journal of Chemical Physics. 134. DOI: 10.1063/1.3569483  1
2011 Ruzsinszky A, Perdew JP, Csonka GI. A simple but fully nonlocal correction to the random phase approximation Journal of Chemical Physics. 134. DOI: 10.1063/1.3569483  0.92
2011 Ruzsinszky A, Perdew JP. Twelve outstanding problems in ground-state density functional theory: A bouquet of puzzles Computational and Theoretical Chemistry. 963: 2-6. DOI: 10.1016/j.comptc.2010.09.002  1
2011 Ruzsinszky A, Perdew JP. Twelve outstanding problems in ground-state density functional theory: A bouquet of puzzles Computational and Theoretical Chemistry. 963: 2-6. DOI: 10.1016/j.comptc.2010.09.002  0.92
2010 Ruzsinszky A, Perdew JP, Csonka GI. The RPA Atomization Energy Puzzle. Journal of Chemical Theory and Computation. 6: 127-134. PMID 26614325 DOI: 10.1021/ct900518k  0.92
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  1
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  1
2010 Perdew JP, Ruzsinszky A. Density functional theory of electronic structure: A short course for mineralogists and geophysicists Reviews in Mineralogy and Geochemistry. 71: 1-18. DOI: 10.2138/rmg.2010.71.1  1
2010 Perdew JP, Ruzsinszky A. Density functional theory of electronic structure: A short course for mineralogists and geophysicists Reviews in Mineralogy and Geochemistry. 71: 1-18. DOI: 10.2138/rmg.2010.71.1  0.92
2010 Tao J, Perdew JP, Ruzsinszky A. Long-range van der Waals attraction and alkali-metal lattice constants Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.233102  1
2010 Sun J, Perdew JP, Seidl M. Correlation energy of the uniform electron gas from an interpolation between high- and low-density limits Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.085123  1
2010 Ruzsinszky A, Perdew JP, Csonka GI. The RPA atomization energy puzzle Journal of Chemical Theory and Computation. 6: 127-134. DOI: 10.1021/ct900518k  1
2010 Ruzsinszky A, Perdew JP, Csonka GI. The RPA atomization energy puzzle Journal of Chemical Theory and Computation. 6: 127-134. DOI: 10.1021/ct900518k  0.92
2010 Csonka GI, Perdew JP, Ruzsinszky A. Global hybrid functionals: A look at the engine under the hood Journal of Chemical Theory and Computation. 6: 3688-3703. DOI: 10.1021/ct100488v  1
2010 Csonka GI, Perdew JP, Ruzsinszky A. Global hybrid functionals: A look at the engine under the hood Journal of Chemical Theory and Computation. 6: 3688-3703. DOI: 10.1021/ct100488v  0.92
2010 Perdew JP, Tao J. When does static correlation scale to the high-density limit as exchange does? Journal of Molecular Structure: Theochem. 943: 19-22. DOI: 10.1016/j.theochem.2009.09.006  1
2010 Perdew JP, Ruzsinszky A. Fourteen easy lessons in density functional theory International Journal of Quantum Chemistry. 110: 2801-2807. DOI: 10.1002/qua.22829  1
2010 Perdew JP, Ruzsinszky A. Fourteen easy lessons in density functional theory International Journal of Quantum Chemistry. 110: 2801-2807. DOI: 10.1002/qua.22829  0.92
2009 Perdew JP, Ruzsinszky A, Constantin LA, Sun J, Csonka GI. Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed. Journal of Chemical Theory and Computation. 5: 902-908. PMID 26609599 DOI: 10.1021/ct800531s  0.96
2009 Perdew JP, Ruzsinszky A, Csonka GI, Constantin LA, Sun J. Workhorse semilocal density functional for condensed matter physics and quantum chemistry. Physical Review Letters. 103: 026403. PMID 19659225 DOI: 10.1103/PhysRevLett.103.026403  0.96
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  1
2009 Perdew JP, Sagvolden E. Exact exchange-correlation potentials in spin-density functional theory and their discontinuities at unit electron number Canadian Journal of Chemistry. 87: 1268-1272. DOI: 10.1139/V09-057  1
2009 Perdew JP, Sagvolden E. Exact exchange-correlation potentials in spin-density functional theory and their discontinuities at unit electron number Canadian Journal of Chemistry. 87: 1268-1272. DOI: 10.1139/V09-057  0.4
2009 Perdew JP, Ruzsinszky A, Csonka GI, Constantin LA, Sun J. Workhorse semilocal density functional for condensed matter physics and quantum chemistry Physical Review Letters. 103. DOI: 10.1103/PhysRevLett.103.026403  1
2009 Perdew JP, Ruzsinszky A, Csonka GI, Constantin LA, Sun J. Workhorse semilocal density functional for condensed matter physics and quantum chemistry Physical Review Letters. 103. DOI: 10.1103/PhysRevLett.103.026403  0.96
2009 Constantin LA, Ruzsinszky A, Perdew JP. Exchange-correlation energy functional based on the Airy-gas reference system Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/PhysRevB.80.035125  1
2009 Csonka GI, Perdew JP, Ruzsinszky A, Philipsen PHT, Lebègue S, Paier J, Vydrov OA, Ángyán JG. Assessing the performance of recent density functionals for bulk solids Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.155107  1
2009 Constantin LA, Perdew JP, Pitarke JM. Exchange-correlation hole of a generalized gradient approximation for solids and surfaces Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/PhysRevB.79.075126  1
2009 Sagvolden E, Perdew JP, Levy M. Comment on "functional derivative of the universal density functional in Fock space" Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/PhysRevA.79.026501  1
2009 Jimenez-Hoyos CA, Janesko BG, Scuseria GE, Staroverov VN, Perdew JP. Assessment of a density functional with full exact exchange and balanced non-locality of correlation Molecular Physics. 107: 1077-1088. DOI: 10.1080/00268970902740555  1
2009 Jimenez-Hoyos CA, Janesko BG, Scuseria GE, Staroverov VN, Perdew JP. Assessment of a density functional with full exact exchange and balanced non-locality of correlation Molecular Physics. 107: 1077-1088. DOI: 10.1080/00268970902740555  0.72
2009 Perdew JP, Ruzsinszky A, Constantin LA, Sun J, Csonka GI. Some fundamental issues in ground-state density functional theory: A guide for the perplexed Journal of Chemical Theory and Computation. 5: 902-908. DOI: 10.1021/ct800531s  1
2008 Csonka GI, Ruzsinszky A, Perdew JP, Grimme S. Improved Description of Stereoelectronic Effects in Hydrocarbons Using Semilocal Density Functional Theory. Journal of Chemical Theory and Computation. 4: 888-91. PMID 26621229 DOI: 10.1021/ct800003n  0.92
2008 Krukau AV, Scuseria GE, Perdew JP, Savin A. Hybrid functionals with local range separation. The Journal of Chemical Physics. 129: 124103. PMID 19045002 DOI: 10.1063/1.2978377  0.72
2008 Constantin LA, Perdew JP, Pitarke JM. Collapse of the electron gas to two dimensions in density functional theory. Physical Review Letters. 101: 016406. PMID 18764133 DOI: 10.1103/PhysRevLett.101.016406  0.6
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  0.92
2008 Constantin LA, Pitarke JM, Dobson JF, Garcia-Lekue A, Perdew JP. High-level correlated approach to the jellium surface energy, without uniform-gas input. Physical Review Letters. 100: 036401. PMID 18233011 DOI: 10.1103/PhysRevLett.100.036401  0.6
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  1
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  0.92
2008 Constantin LA, Perdew JP, Pitarke JM. Collapse of the electron gas to two dimensions in density functional theory Physical Review Letters. 101. DOI: 10.1103/PhysRevLett.101.016406  1
2008 Constantin LA, Perdew JP, Pitarke JM. Collapse of the electron gas to two dimensions in density functional theory Physical Review Letters. 101. DOI: 10.1103/PhysRevLett.101.016406  0.6
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. DOI: 10.1103/PhysRevLett.100.136406  1
2008 Constantin LA, Pitarke JM, Dobson JF, Garcia-Lekue A, Perdew JP. High-level correlated approach to the jellium surface energy, without uniform-gas input Physical Review Letters. 100. DOI: 10.1103/PhysRevLett.100.036401  1
2008 Tao J, Perdew JP, Almeida LM, Fiolhais C, Kümmel S. Nonempirical density functionals investigated for jellium: Spin-polarized surfaces, spherical clusters, and bulk linear response Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.245107  1
2008 Tao J, Perdew JP, Almeida LM, Fiolhais C, Kümmel S. Nonempirical density functionals investigated for jellium: Spin-polarized surfaces, spherical clusters, and bulk linear response Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/PhysRevB.77.245107  1
2008 Perdew JP, Staroverov VN, Tao J, Scuseria GE. Density functional with full exact exchange, balanced nonlocality of correlation, and constraint satisfaction Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/PhysRevA.78.052513  1
2008 Ruzsinszky A, Perdew JP, Csonka GI. Simple charge-transfer model to explain the electrical response of hydrogen chains Physical Review a - Atomic, Molecular, and Optical Physics. 78. DOI: 10.1103/PhysRevA.78.022513  1
2008 Ruzsinszky A, Perdew JP, Csonka GI, Scuseria GE, Vydrov OA. Understanding and correcting the self-interaction error in the electrical response of hydrogen chains Physical Review a - Atomic, Molecular, and Optical Physics. 77. DOI: 10.1103/PhysRevA.77.060502  1
2008 Ruzsinszky A, Perdew JP, Csonka GI, Scuseria GE, Vydrov OA. Understanding and correcting the self-interaction error in the electrical response of hydrogen chains Physical Review a - Atomic, Molecular, and Optical Physics. 77. DOI: 10.1103/PhysRevA.77.060502  0.92
2008 Sagvolden E, Perdew JP. Discontinuity of the exchange-correlation potential: Support for assumptions used to find it Physical Review a - Atomic, Molecular, and Optical Physics. 77. DOI: 10.1103/PhysRevA.77.012517  1
2008 Tao J, Staroverov VN, Scuseria GE, Perdew JP. Exact-exchange energy density in the gauge of a semilocal density-functional approximation Physical Review a - Atomic, Molecular, and Optical Physics. 77. DOI: 10.1103/PhysRevA.77.012509  1
2008 Krukau AV, Scuseria GE, Perdew JP, Savin A. Hybrid functionals with local range separation Journal of Chemical Physics. 129. DOI: 10.1063/1.2978377  1
2008 Csonka GI, Ruzsinszky A, Perdew JP, Grimme S. Improved description of stereoelectronic effects in hydrocarbons using semilocal density functional theory Journal of Chemical Theory and Computation. 4: 888-891. DOI: 10.1021/ct800003n  1
2007 Csonka GI, Vydrov OA, Scuseria GE, Ruzsinszky A, Perdew JP. Diminished gradient dependence of density functionals: constraint satisfaction and self-interaction correction. The Journal of Chemical Physics. 126: 244107. PMID 17614537 DOI: 10.1063/1.2743985  0.92
2007 Vydrov OA, Scuseria GE, Perdew JP. Tests of functionals for systems with fractional electron number. The Journal of Chemical Physics. 126: 154109. PMID 17461616 DOI: 10.1063/1.2723119  0.72
2007 Ruzsinszky A, Perdew JP, Csonka GI, Vydrov OA, Scuseria GE. Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, LiH+, and Ne2+. The Journal of Chemical Physics. 126: 104102. PMID 17362056 DOI: 10.1063/1.2566637  0.92
2007 Perdew JP, Constantin LA. Laplacian-level density functionals for the kinetic energy density and exchange-correlation energy Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.155109  1
2007 Perdew JP, Ruzsinszky A, Tao J, Csonka GI, Scuseria GE. One-parameter optimization of a nonempirical meta-generalized-gradient- approximation for the exchange-correlation energy Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/PhysRevA.76.042506  1
2007 Perdew JP, Ruzsinszky A, Tao J, Csonka GI, Scuseria GE. One-parameter optimization of a nonempirical meta-generalized-gradient- approximation for the exchange-correlation energy Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/PhysRevA.76.042506  1
2007 Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Staroverov VN, Tao J. Exchange and correlation in open systems of fluctuating electron number Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/PhysRevA.76.040501  1
2007 Perdew JP, Ruzsinszky A, Csonka GI, Vydrov OA, Scuseria GE, Staroverov VN, Tao J. Exchange and correlation in open systems of fluctuating electron number Physical Review a - Atomic, Molecular, and Optical Physics. 76. DOI: 10.1103/PhysRevA.76.040501  1
2007 Tao J, Perdew JP, Ruzsinszky A, Scuseria GE, Csonka GI, Staroverov VN. Meta-generalized gradient approximation: Non-empirical construction and performance of a density functional Philosophical Magazine. 87: 1071-1084. DOI: 10.1080/14786430601021660  1
2007 Csonka GI, Vydrov OA, Scuseria GE, Ruzsinszky A, Perdew JP. Diminished gradient dependence of density functionals: Constraint satisfaction and self-interaction correction Journal of Chemical Physics. 126. DOI: 10.1063/1.2743985  1
2007 Csonka GI, Vydrov OA, Scuseria GE, Ruzsinszky A, Perdew JP. Diminished gradient dependence of density functionals: Constraint satisfaction and self-interaction correction Journal of Chemical Physics. 126. DOI: 10.1063/1.2743985  0.92
2007 Vydrov OA, Scuseria GE, Perdew JP. Tests of functionals for systems with fractional electron number Journal of Chemical Physics. 126. DOI: 10.1063/1.2723119  1
2007 Ruzsinszky A, Perdew JP, Csonka GI, Vydrov OA, Scuseria GE. Density functionals that are one- and two- are not always many-electron self-interaction-free, as shown for H2+, He2+, Li H+, and Ne2+ Journal of Chemical Physics. 126. DOI: 10.1063/1.2566637  1
2007 Perdew JP, Tao J, Kümmel S. Uniform density limit of exchange-correlation energy functionals Acs Symposium Series. 958: 13-25.  1
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  0.64
2006 Ruzsinszky A, Perdew JP, Csonka GI, Vydrov OA, Scuseria GE. Spurious fractional charge on dissociated atoms: pervasive and resilient self-interaction error of common density functionals. The Journal of Chemical Physics. 125: 194112. PMID 17129094 DOI: 10.1063/1.2387954  0.92
2006 Vydrov OA, Scuseria GE, Perdew JP, Ruzsinszky A, Csonka GI. Scaling down the Perdew-Zunger self-interaction correction in many-electron regions. The Journal of Chemical Physics. 124: 94108. PMID 16526846 DOI: 10.1063/1.2176608  0.92
2006 Furche F, Perdew JP. The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry. The Journal of Chemical Physics. 124: 044103. PMID 16460145 DOI: 10.1063/1.2162161  1
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. DOI: 10.1103/PhysRevLett.97.223002  1
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. DOI: 10.1103/PhysRevLett.97.223002  0.64
2006 Pitarke JM, Constantin LA, Perdew JP. Wave-vector analysis of the jellium exchange-correlation surface energy in the random-phase approximation: Support for nonempirical density functionals Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.045121  1
2006 Pitarke JM, Constantin LA, Perdew JP. Wave-vector analysis of the jellium exchange-correlation surface energy in the random-phase approximation: Support for nonempirical density functionals Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/PhysRevB.74.045121  0.6
2006 Constantin LA, Perdew JP, Tao J. Meta-generalized gradient approximation for the exchange-correlation hole with an application to the jellium surface energy Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.205104  1
2006 Constantin LA, Perdew JP, Tao J. Meta-generalized gradient approximation for the exchange-correlation hole with an application to the jellium surface energy Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.205104  1
2006 Staroverov VN, Scuseria GE, Perdew JP, Davidson ER, Katriel J. High-density limit of the Perdew-Burke-Ernzerhof generalized gradient approximation and related density functionals Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/PhysRevA.74.044501  1
2006 Staroverov VN, Scuseria GE, Perdew JP, Davidson ER, Katriel J. High-density limit of the Perdew-Burke-Ernzerhof generalized gradient approximation and related density functionals Physical Review a - Atomic, Molecular, and Optical Physics. 74. DOI: 10.1103/PhysRevA.74.044501  1
2006 Ruzsinszky A, Perdew JP, Csonka GI, Vydrov OA, Scuseria GE. Spurious fractional charge on dissociated atoms: Pervasive and resilient self-interaction error of common density functionals Journal of Chemical Physics. 125. DOI: 10.1063/1.2387954  1
2006 Vydrov OA, Scuseria GE, Perdew JP, Ruzsinszky A, Csonka GI. Scaling down the Perdew-Zunger self-interaction correction in many-electron regions Journal of Chemical Physics. 124. DOI: 10.1063/1.2176608  1
2005 Csonka GI, Ruzsinszky A, Perdew JP. Proper gaussian basis sets for density functional studies of water dimers and trimers. The Journal of Physical Chemistry. B. 109: 21471-5. PMID 16853784 DOI: 10.1021/jp055443+  0.92
2005 Csonka GI, Ruzsinszky A, Perdew JP. Estimation, computation, and experimental correction of molecular zero-point vibrational energies. The Journal of Physical Chemistry. A. 109: 6779-89. PMID 16834032 DOI: 10.1021/jp0519464  0.92
2005 Tao J, Perdew JP. Nonempirical construction of current-density functionals from conventional density-functional approximations. Physical Review Letters. 95: 196403. PMID 16384002  1
2005 Ruzsinszky A, Perdew JP, Csonka GI. Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics. The Journal of Physical Chemistry. A. 109: 11015-21. PMID 16331945 DOI: 10.1021/jp053905d  0.92
2005 Ruzsinszky A, Perdew JP, Csonka GI. Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules. The Journal of Physical Chemistry. A. 109: 11006-14. PMID 16331944 DOI: 10.1021/jp0534479  0.92
2005 Perdew JP, Ruzsinszky A, Tao J, Staroverov VN, Scuseria GE, Csonka GI. Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits. The Journal of Chemical Physics. 123: 62201. PMID 16122287 DOI: 10.1063/1.1904565  1
2005 Tao J, Perdew JP. Test of a nonempirical density functional: short-range part of the van der Waals interaction in rare-gas dimers. The Journal of Chemical Physics. 122: 114102. PMID 15836196 DOI: 10.1063/1.1862242  1
2005 Tao J, Perdew JP. Nonempirical construction of current-density functionals from conventional density-functional approximations Physical Review Letters. 95. DOI: 10.1103/PhysRevLett.95.196403  1
2005 Tao J, Perdew JP. Nonempirical construction of current-density functionals from conventional density-functional approximations Physical Review Letters. 95. DOI: 10.1103/PhysRevLett.95.196403  1
2005 Perdew JP, Ruzsinszky A, Tao J, Staroverov VN, Scuseria GE, Csonka GI. Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits Journal of Chemical Physics. 123. DOI: 10.1063/1.1904565  1
2005 Perdew JP, Ruzsinszky A, Tao J, Staroverov VN, Scuseria GE, Csonka GI. Prescription for the design and selection of density functional approximations: More constraint satisfaction with fewer fits Journal of Chemical Physics. 123. DOI: 10.1063/1.1904565  1
2005 Tao J, Perdew JP. Test of a nonempirical density functional: Short-range part of the van der Waals interaction in rare-gas dimers Journal of Chemical Physics. 122. DOI: 10.1063/1.1862242  1
2005 Csonka GI, Ruzsinszky A, Perdew JP. Proper Gaussian basis sets for density functional studies of water dimers and trimers Journal of Physical Chemistry B. 109: 21471-21475. DOI: 10.1021/jp055443+  1
2005 Csonka GI, Ruzsinszky A, Perdew JP. Proper Gaussian basis sets for density functional studies of water dimers and trimers Journal of Physical Chemistry B. 109: 21471-21475. DOI: 10.1021/jp055443+  0.92
2005 Ruzsinszky A, Perdew JP, Csonka GI. Binding energy curves from nonempirical density functionals II. van der Waals bonds in rare-gas and alkaline-earth diatomics Journal of Physical Chemistry A. 109: 11015-11021. DOI: 10.1021/jp053905d  1
2005 Ruzsinszky A, Perdew JP, Csonka GI. Binding energy curves from nonempirical density functionals. I. Covalent bonds in closed-shell and radical molecules Journal of Physical Chemistry A. 109: 11006-11014. DOI: 10.1021/jp0534479  1
2005 Csonka GI, Ruzsinszky A, Perdew JP. Estimation, Computation, and Experimental Correction of Molecular Zero-Point Vibrational Energies Journal of Physical Chemistry A. 109: 6779-6789. DOI: 10.1021/jp0519464  1
2005 Csonka GI, Ruzsinszky A, Perdew JP. Estimation, Computation, and Experimental Correction of Molecular Zero-Point Vibrational Energies Journal of Physical Chemistry A. 109: 6779-6789. DOI: 10.1021/jp0519464  0.92
2005 Csonka GI, Ruzsinszky A, Tao J, Perdew JP. Energies of organic molecules and atoms in density functional theory International Journal of Quantum Chemistry. 101: 505-511. DOI: 10.1002/qua.20305  1
2005 Csonka GI, Ruzsinszky A, Tao J, Perdew JP. Energies of organic molecules and atoms in density functional theory International Journal of Quantum Chemistry. 101: 505-511. DOI: 10.1002/qua.20305  1
2004 Kümmel S, Kronik L, Perdew JP. Electrical response of molecular chains from density functional theory. Physical Review Letters. 93: 213002. PMID 15601005 DOI: 10.1103/PhysRevLett.93.213002  0.48
2004 Perdew JP, Tao J, Staroverov VN, Scuseria GE. Meta-generalized gradient approximation: explanation of a realistic nonempirical density functional. The Journal of Chemical Physics. 120: 6898-911. PMID 15267588 DOI: 10.1063/1.1665298  1
2004 Kümmel S, Kronik L, Perdew JP. Electrical response of molecular chains from density functional theory Physical Review Letters. 93. DOI: 10.1103/PhysRevLett.93.213002  1
2004 Kümmel S, Kronik L, Perdew JP. Electrical response of molecular chains from density functional theory Physical Review Letters. 93. DOI: 10.1103/PhysRevLett.93.213002  0.48
2004 Staroverov VN, Scuseria GE, Perdew JP, Tao J, Davidson ER. Energies of isoelectronic atomic ions from a successful metageneralized gradient approximation and other density functional Physical Review a - Atomic, Molecular, and Optical Physics. 70: 012502-1-012502-7. DOI: 10.1103/PhysRevA.70.012502  1
2004 Perdew JP, Tao J, Staroverov VN, Scuseria GE. Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional Journal of Chemical Physics. 120: 6898-6911. DOI: 10.1063/1.1665298  1
2004 Perdew JP, Tao J, Staroverov VN, Scuseria GE. Meta-generalized gradient approximation: Explanation of a realistic nonempirical density functional Journal of Chemical Physics. 120: 6898-6911. DOI: 10.1063/1.1665298  1
2004 Staroverov VN, Scuseria GE, Tao J, Perdew JP. Tests of a ladder of density functionals for bulk solids and surfaces Physical Review B - Condensed Matter and Materials Physics. 69: 751021-7510211.  1
2004 Staroverov VN, Scuseria GE, Tao J, Perdew JP. Tests of a ladder of density functionals for bulk solids and surfaces Physical Review B - Condensed Matter and Materials Physics. 69: 751021-7510211.  1
2004 Corona M, Gori-Giorgi P, Perdew JP. Simple physical picture of the Overhauser screened electron-electron interaction Physical Review B - Condensed Matter and Materials Physics. 69: 451081-451085.  1
2004 Gori-Giorgi P, Perdew JP. Spin resolution of the electron-gas correlation energy: Positive same spin contributions Physical Review B - Condensed Matter and Materials Physics. 69: 411031-411034.  1
2003 Tao J, Perdew JP, Staroverov VN, Scuseria GE. Climbing the density functional ladder: nonempirical meta-generalized gradient approximation designed for molecules and solids. Physical Review Letters. 91: 146401. PMID 14611541  1
2003 Kümmel S, Perdew JP. Simple iterative construction of the optimized effective potential for orbital functionals, including exact exchange. Physical Review Letters. 90: 043004. PMID 12570417 DOI: 10.1103/PhysRevLett.90.043004  0.48
2003 Tran HT, Perdew JP. How metals bind: The deformable-jellium model with correlated electrons American Journal of Physics. 71: 1048-1061. DOI: 10.1119/1.1590653  1
2003 Staroverov VN, Scuseria GE, Tao J, Perdew JP. Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes Journal of Chemical Physics. 119: 12129-12137. DOI: 10.1063/1.1626543  1
2003 Tao J, Springborg M, Perdew JP. Properties of the exchange hole under an appropriate coordinate transformation Journal of Chemical Physics. 119: 6457-6464. DOI: 10.1063/1.1604377  1
2003 Tao J, Springborg M, Perdew JP. Properties of the exchange hole under an appropriate coordinate transformation Journal of Chemical Physics. 119: 6457-6464. DOI: 10.1063/1.1604377  1
2003 Tao J, Perdew JP, Staroverov VN, Scuseria GE. Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids Physical Review Letters. 91: 146401/1-146401/4.  1
2003 Kümmel S, Perdew JP. Optimized effective potential made simple: Orbital functionals, orbital shifts, and the exact Kohn-Sham exchange potential Physical Review B - Condensed Matter and Materials Physics. 68: 351031-3510315.  1
2003 Kümmel S, Perdew JP. Optimized effective potential made simple: Orbital functionals, orbital shifts, and the exact Kohn-Sham exchange potential Physical Review B - Condensed Matter and Materials Physics. 68: 351031-3510315.  0.48
2003 Kümmel S, Perdew JP. Two avenues to self-interaction correction within Kohn-Sham theory: Unitary invariance is the shortcut Molecular Physics. 101: 1363-1368.  1
2003 Kümmel S, Perdew JP. Simple iterative construction of the optimized effective potential for orbital functionals, including exact exchange Physical Review Letters. 90: 430041-430044.  1
2003 Kümmel S, Perdew JP. Simple iterative construction of the optimized effective potential for orbital functionals, including exact exchange Physical Review Letters. 90: 430041-430044.  0.48
2003 Pitarke JM, Perdew JP. Metal surface energy: Persistent cancellation of short-range correlation effects beyond the random phase approximation Physical Review B - Condensed Matter and Materials Physics. 67: 451011-451015.  1
2003 Pitarke JM, Perdew JP. Metal surface energy: Persistent cancellation of short-range correlation effects beyond the random phase approximation Physical Review B - Condensed Matter and Materials Physics. 67: 451011-451015.  0.6
2003 Alchagirov AB, Perdew JP, Boettger JC, Albers RC, Fiolhais C. Reply to "comment on 'energy and pressure versus volume: Equations of state motivated by the stabilized jellium model'" Physical Review B - Condensed Matter and Materials Physics. 67: 261031-261035.  1
2002 Gori-Giorgi P, Perdew JP. Pair distribution function of the spin-polarized electron gas: A first-principles analytic model for all uniform densities Physical Review B - Condensed Matter and Materials Physics. 66: 1651181-16511814.  1
2002 Almeida LM, Perdew JP, Fiolhais C. Surface and curvature energies from jellium spheres: Density functional hierarchy and quantum Monte Carlo Physical Review B - Condensed Matter and Materials Physics. 66: 751151-751159.  1
2001 Perdew JP, Kurth S, Seidl M. Exploring the adiabatic connection between weak- and strong-interaction limits in density functional theory International Journal of Modern Physics B. 15: 1672-1683. DOI: 10.1142/S0217979201006197  1
2001 Tao J, Gori-Giorgi P, Perdew JP, McWeeny R. Uniform electron gas from the Colle-Salvetti functional: Missing long-range correlations Physical Review a - Atomic, Molecular, and Optical Physics. 63: 1-5. DOI: 10.1103/PhysRevA.63.032513  1
2001 Springborg M, Perdew JP, Schmidt K. Phase space, density matrices, energy densities, and exchange holes Zeitschrift Fur Physikalische Chemie. 215: 1243-1264.  1
2001 Gori-Giorgi P, Perdew JP. Short-range correlation in the uniform electron gas: Extended overhauser model Physical Review B - Condensed Matter and Materials Physics. 64: 1551021-1551028.  1
2001 Alchagirov AB, Perdew JP, Boettger JC, Albers RC, Fiolhais C. Energy and pressure versus volume: Equations of state motivated by the stabilized jellium model Physical Review B - Condensed Matter and Materials Physics. 63: 2241151-22411516.  1
2000 Seidl M, Perdew JP, Kurth S. Simulation of all-order density-functional perturbation theory, using the second order and the strong-correlation limit Physical Review Letters. 84: 5070-3. PMID 10990869 DOI: 10.1103/PhysRevLett.84.5070  1
2000 Pollack L, Perdew JP. Evaluating density functional performance for the quasi-two-dimensional electron gas Journal of Physics Condensed Matter. 12: 1239-1252. DOI: 10.1088/0953-8984/12/7/308  1
2000 Perdew JP, Nogueira F, Fiolhais C. Structural phase transitions in Na, Mg and Al crystals: Dominant role of the valence in local pseudopotential theory Journal of Molecular Structure: Theochem. 501: 261-269. DOI: 10.1016/S0166-1280(99)00437-6  1
2000 Yan Z, Perdew JP, Kurth S, Fiolhais C, Almeida L. Density-functional versus wave-function methods: Toward a benchmark for the jellium surface energy Physical Review B - Condensed Matter and Materials Physics. 61: 2595-2598.  1
2000 Yan Z, Perdew JP, Kurth S. Density functional for short-range correlation: Accuracy of the random-phase approximation for isoelectronic energy changes Physical Review B - Condensed Matter and Materials Physics. 61: 16430-16439.  1
2000 Kurth S, Perdew JP. Role of the Exchange-Correlation Energy: Nature's Glue International Journal of Quantum Chemistry. 77: 814-818.  1
2000 Ziesche P, Tao J, Seidl M, Perdew JP. How Correlation Suppresses Density Fluctuations in the Uniform Electron Gas of One, Two, or Three Dimensions International Journal of Quantum Chemistry. 77: 819-830.  1
2000 Seidl M, Perdew JP, Kurth S. Density functional for the strong-interaction limit Physical Review a - Atomic, Molecular, and Optical Physics. 62: 1-15.  1
2000 Seidl M, Perdew JP, Kurth S. Density functionals for the strong-interaction limit Physical Review a - Atomic, Molecular, and Optical Physics. 62: 012502-012501.  1
2000 Lein M, Gross EKU, Perdew JP. Electron correlation energies from scaled exchange-correlation kernels: Importance of spatial versus temporal nonlocality Physical Review B - Condensed Matter and Materials Physics. 61: 13431-13437.  1
1999 Kurth S, Perdew JP, Blaha P. Molecular and solid-state tests of density functional approximations: LSD, GGAs, and Meta-GGAs International Journal of Quantum Chemistry. 75: 889-909.  1
1999 Seidl M, Perdew JP, Levy M. Strictly correlated electrons in density-functional theory Physical Review a - Atomic, Molecular, and Optical Physics. 59: 51-54.  1
1999 Nogueira F, Fiolhais C, Perdew JP. Trends in the properties and structures of the simple metals from a universal local pseudopotential Physical Review B - Condensed Matter and Materials Physics. 59: 2570-2578.  1
1999 Kurth S, Perdew JP. Density-functional correction of random-phase-approximation correlation with results for jellium surface energies Physical Review B - Condensed Matter and Materials Physics. 59: 10461-10468.  1
1999 Perdew JP, Kurth S, Zupan A, Blaha P. Accurate density functional with correct formal properties: A step beyond the generalized gradient approximation Physical Review Letters. 82: 2544-2547.  1
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  1
1998 Ernzerhof M, Perdew JP. Generalized gradient approximation to the angle- and system-averaged exchange hole Journal of Chemical Physics. 109: 3313-3320. DOI: 10.1063/1.476928  1
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  1
1998 Pollack L, Perdew JP. Exchange-correlation corrections to lattice dynamics of simple metals, and a search for soft modes at normal and expanded volume International Journal of Quantum Chemistry. 69: 359-369.  1
1998 Zupan A, Blaha P, Schwarz K, Perdew JP. Pressure-induced phase transitions in solid Si, SiO2, and Fe: Performance of local-spin-density and generalized-gradient-approximation density functionals Physical Review B - Condensed Matter and Materials Physics. 58: 11266-11272.  1
1998 Seidl M, Perdew JP, Brajczewska M, Fiolhais C. Ionization energy and electron affinity of a metal cluster in the stabilized jellium model: Size effect and charging limit Journal of Chemical Physics. 108: 8182-8189.  1
1998 Ziesche P, Kurth S, Perdew JP. Density functionals from LDA to GGA Computational Materials Science. 11: 122-127.  1
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.  1
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.  1
1997 Perdew JP, Levy M. Comment on "Significance of the highest occupied Kohn-Sham eigenvalue" Physical Review B-Condensed Matter. 56: 16021-16028.  1
1997 Gersdorf P, John W, Perdew JP, Ziesche P. Correlation entropy of the H2 molecule International Journal of Quantum Chemistry. 61: 935-941.  1
1997 Burke K, Perdew JP, Ernzerhof M. Why the generalized gradient approximation works and how to go beyond it International Journal of Quantum Chemistry. 61: 287-293.  1
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.  1
1997 Ernzerhof M, Perdew JP, Burke K. Coupling-constant dependence of atomization energies International Journal of Quantum Chemistry. 64: 285-295.  1
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.  1
1997 Pollack L, Perdew JP, He J, Marques M, Nogueira F, Fiolhais C. Tests of a density-based local pseudopotential for sixteen simple metals Physical Review B - Condensed Matter and Materials Physics. 55: 15544-15551.  1
1997 Yan Z, Perdew JP, Korhonen T, Ziesche P. Numerical test of the sixth-order gradient expansion for the kinetic energy: Application to the monovacancy in jellium Physical Review a - Atomic, Molecular, and Optical Physics. 55: 4601-4604.  1
1997 Seidl M, Perdew JP, Brajczewska M, Fiolhais C. Metal-cluster ionization energy: A profile-insensitive exact expression for the size effect Physical Review B - Condensed Matter and Materials Physics. 55: 13288-13292.  1
1997 Burke K, Ernzerhof M, Perdew JP. The adiabatic connection method: A non-empirical hybrid Chemical Physics Letters. 265: 115-120.  1
1996 Perdew JP, Burke K, Ernzerhof M. Generalized Gradient Approximation Made Simple. Physical Review Letters. 77: 3865-3868. PMID 10062328  1
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  1
1996 Fiolhais C, Perdew JP, Armster SQ, MacLaren JM, Brajczewska M. Erratum: Dominant density parameters and local pseudopotentials for simple metals Physical Review. B, Condensed Matter. 53: 13193. PMID 9983000  0.68
1996 Burke K, Perdew JP, Levy M. Improving energies by using exact electron densities. Physical Review. A. 53: R2915-R2917. PMID 9913323  0.64
1996 Nogueira F, Fiolhais C, He J, Perdew JP, Rubio A. Transferability of a local pseudopotential based on solid-state electron density Journal of Physics Condensed Matter. 8: 287-302. DOI: 10.1088/0953-8984/8/3/008  1
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  1
1996 Vieira A, Fiolhais C, Brajczewska M, Perdew JP. Self-expansion and compression of charged clusters of stabilized jellium International Journal of Quantum Chemistry. 60: 1537-1548.  1
1996 Perdew JP, Burke K, Ernzerhof M. Local and Gradient-Corrected Density Functionals Acs Symposium Series. 629: 453-462.  1
1996 Perdew JP, Burke K. Comparison shopping for a gradient-corrected density functional International Journal of Quantum Chemistry. 57: 309-319.  1
1996 Perdew JP, Ernzerhof M, Burke K. Rationale for mixing exact exchange with density functional approximations Journal of Chemical Physics. 105: 9982-9985.  1
1996 Brajczewska M, Vieira A, Fiolhais C, Perdew JP. Volume shift and charge instability of simple-metal clusters Progress in Surface Science. 53: 305-313.  1
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.  1
1996 Burke K, Perdew JP, Levy M. Improving energies by using exact electron densities Physical Review a - Atomic, Molecular, and Optical Physics. 53: R2915-R2917.  1
1995 Fiolhais C, Perdew JP, Armster SQ, MacLaren JM, Brajczewska M. Dominant density parameters and local pseudopotentials for simple metals. Physical Review. B, Condensed Matter. 51: 14001-14011. PMID 9978325 DOI: 10.1103/PhysRevB.51.14001  1
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  1
1995 Burke K, Perdew JP, Levy M. Semilocal density functionals for exchange and correlation: Theory and applications Theoretical and Computational Chemistry. 2: 29-74. DOI: 10.1016/S1380-7323(05)80032-9  1
1995 Perdew JP. Simple theories for simple metals: Face-dependent surface energies and work functions Progress in Surface Science. 48: 245-259. DOI: 10.1016/0079-6816(95)93432-7  1
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  1
1994 Ziesche P, Perdew JP, Fiolhais C. Spherical voids in the stabilized jellium model: Rigorous theorems and Padé representation of the void-formation energy. Physical Review. B, Condensed Matter. 49: 7916-7928. PMID 10009553 DOI: 10.1103/PhysRevB.49.7916  1
1994 Ziesche P, Perdew JP, Fiolhais C. Erratum: Spherical voids in the stabilized jellium model: Rigorous theorems and Padé representation of the void-formation energy Physical Review. B, Condensed Matter. 50: 5020. PMID 9986936  0.68
1994 Seidl M, Perdew JP. Size-dependent ionization energy of a metallic cluster: Resolution of the classical image-potential paradox. Physical Review. B, Condensed Matter. 50: 5744-5747. PMID 9976929 DOI: 10.1103/PhysRevB.50.5744  1
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  1
1993 Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C. Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Physical Review. B, Condensed Matter. 48: 4978. PMID 10021600  0.68
1993 Perdew JP, Ziesche P, Fiolhais C. Formation energies of metallic voids, edges, and steps: Generalized liquid-drop model. Physical Review. B, Condensed Matter. 47: 16460-16463. PMID 10006079 DOI: 10.1103/PhysRevB.47.16460  1
1993 Levy M, Perdew JP. Tight bound and convexity constraint on the exchange-correlation-energy functional in the low-density limit, and other formal tests of generalized-gradient approximations Physical Review B. 48: 11638-11645. DOI: 10.1103/PhysRevB.48.11638  1
1993 Görling A, Levy M, Perdew JP. Expectation values in density-functional theory, and kinetic contribution to the exchange-correlation energy Physical Review B. 47: 1167-1173. DOI: 10.1103/PhysRevB.47.1167  1
1993 Perdew JP, Brajczewska M, Fiolhais C. Self-compression of metallic clusters under surface tension Solid State Communications. 88: 795-801. DOI: 10.1016/0038-1098(93)90880-V  1
1992 Perdew JP, Wang Y. Pair-distribution function and its coupling-constant average for the spin-polarized electron gas. Physical Review. B, Condensed Matter. 46: 12947-12954. PMID 10003333 DOI: 10.1103/PhysRevB.46.12947  1
1992 Perdew JP, DeWitt HE. Low-density limit of the correlation energy in the random-phase approximation for charged particles of arbitrary statistics. Physical Review. B, Condensed Matter. 46: 12748-12749. PMID 10003197 DOI: 10.1103/PhysRevB.46.12748  1
1992 Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. Physical Review. B, Condensed Matter. 46: 6671-6687. PMID 10002368 DOI: 10.1103/PhysRevB.46.6671  1
1992 Perdew JP, Wang Y. Accurate and simple analytic representation of the electron-gas correlation energy. Physical Review. B, Condensed Matter. 45: 13244-13249. PMID 10001404 DOI: 10.1103/PhysRevB.45.13244  1
1992 Fiolhais C, Perdew JP. Energies of curved metallic surfaces from the stabilized-jellium model. Physical Review. B, Condensed Matter. 45: 6207-6215. PMID 10000366 DOI: 10.1103/PhysRevB.45.6207  1
1992 Perdew JP. Generalized gradient approximation for the fermion kinetic energy as a functional of the density Physics Letters A. 165: 79-82. DOI: 10.1016/0375-9601(92)91058-Y  1
1991 Perdew JP, Wang Y, Engel E. Liquid-drop model for crystalline metals: Vacancy-formation, cohesive, and face-dependent surface energies. Physical Review Letters. 66: 508-511. PMID 10043825 DOI: 10.1103/PhysRevLett.66.508  1
1991 Wang Y, Perdew JP. Correlation hole of the spin-polarized electron gas, with exact small-wave-vector and high-density scaling. Physical Review. B, Condensed Matter. 44: 13298-13307. PMID 9999531 DOI: 10.1103/PhysRevB.44.13298  1
1991 Engel E, Perdew JP. Theory of metallic clusters: Asymptotic size dependence of electronic properties. Physical Review. B, Condensed Matter. 43: 1331-1337. PMID 9997381 DOI: 10.1103/PhysRevB.43.1331  1
1991 Wang Y, Perdew JP. Spin scaling of the electron-gas correlation energy in the high-density limit. Physical Review. B, Condensed Matter. 43: 8911-8916. PMID 9996559 DOI: 10.1103/PhysRevB.43.8911  1
1991 Perdew JP. Generalized gradient approximations for exchange and correlation: A look backward and forward Physica B: Physics of Condensed Matter. 172: 1-6. DOI: 10.1016/0921-4526(91)90409-8  1
1990 Perdew JP, Tran HQ, Smith ED. Stabilized jellium: Structureless pseudopotential model for the cohesive and surface properties of metals. Physical Review. B, Condensed Matter. 42: 11627-11636. PMID 9995466 DOI: 10.1103/PhysRevB.42.11627  1
1990 Zhang ZY, Langreth DC, Perdew JP. Planar-surface charge densities and energies beyond the local-density approximation. Physical Review. B, Condensed Matter. 41: 5674-5684. PMID 9994450 DOI: 10.1103/PhysRevB.41.5674  1
1990 Wang Y, Perdew JP, Chevary JA, Macdonald LD, Vosko SH. Exchange potentials in density-functional theory. Physical Review. A. 41: 78-86. PMID 9902845 DOI: 10.1103/PhysRevA.41.78  1
1990 Perdew JP. Size-Consistency, Self-Interaction Correction, and Derivative Discontinuity in Density Functional Theory Advances in Quantum Chemistry. 21: 113-134. DOI: 10.1016/S0065-3276(08)60594-8  1
1988 Perdew JP, Wang Y. Jellium work function for all electron densities. Physical Review. B, Condensed Matter. 38: 12228-12232. PMID 9946160 DOI: 10.1103/PhysRevB.38.12228  1
1988 Perdew JP. Energetics of charged metallic particles: From atom to bulk solid. Physical Review. B, Condensed Matter. 37: 6175-6180. PMID 9943851 DOI: 10.1103/PhysRevB.37.6175  1
1988 Perdew JP, Levy M, Painter GS, Wei S, Lagowski JB. Chemical bond as a test of density-gradient expansions for kinetic and exchange energies Physical Review B. 37: 838-843. DOI: 10.1103/PhysRevB.37.838  1
1987 McMullen ER, Perdew JP. Theory of field evaporation of the surface layer in jellium and other metals. Physical Review. B, Condensed Matter. 36: 2598-2606. PMID 9943144 DOI: 10.1103/PhysRevB.36.2598  1
1987 Levy M, Pathak RK, Perdew JP, Wei S. Indirect-path methods for atomic and molecular energies, and new Koopmans theorems Physical Review A. 36: 2491-2494. DOI: 10.1103/PhysRevA.36.2491  1
1986 Perdew JP. Density-functional approximation for the correlation energy of the inhomogeneous electron gas. Physical Review. B, Condensed Matter. 33: 8822-8824. PMID 9938299 DOI: 10.1103/PhysRevB.33.8822  1
1986 Levy M, Perdew JP. Success of quantum mechanical approximations for molecular geometries and electron-nuclear attraction expectation values: Gift of the Coulomb potential? The Journal of Chemical Physics. 84: 4519-4523.  1
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