Year |
Citation |
Score |
2021 |
Ehlert S, Huniar U, Ning J, Furness JW, Sun J, Kaplan AD, Perdew JP, Brandenburg JG. rSCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications. The Journal of Chemical Physics. 154: 061101. PMID 33588552 DOI: 10.1063/5.0041008 |
1 |
|
2021 |
Perdew JP, Ruzsinszky A, Sun J, Nepal NK, Kaplan AD. Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 33472975 DOI: 10.1073/pnas.2017850118 |
1 |
|
2021 |
Withanage KPK, Bhattarai P, Peralta JE, Zope RR, Baruah T, Perdew JP, Jackson KA. Density-related properties from self-interaction corrected density functional theory calculations. The Journal of Chemical Physics. 154: 024102. PMID 33445898 DOI: 10.1063/5.0034545 |
0.36 |
|
2020 |
Furness JW, Kaplan AD, Ning J, Perdew JP, Sun J. Correction to "Accurate and Numerically Efficient rSCAN Meta-Generalized Gradient Approximation". The Journal of Physical Chemistry Letters. 9248. PMID 33073997 DOI: 10.1021/acs.jpclett.0c03077 |
1 |
|
2020 |
Furness JW, Kaplan AD, Ning J, Perdew JP, Sun J. Accurate and Numerically Efficient rSCAN Meta-generalized Gradient Approximation. The Journal of Physical Chemistry Letters. PMID 32876454 DOI: 10.1021/acs.jpclett.0c02405 |
1 |
|
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 |
0.92 |
|
2020 |
Bhattarai P, Wagle K, Shahi C, Yamamoto Y, Romero S, Santra B, Zope RR, Peralta JE, Jackson KA, Perdew JP. A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation. The Journal of Chemical Physics. 152: 214109. PMID 32505149 DOI: 10.1063/5.0010375 |
0.92 |
|
2020 |
Sharkas K, Wagle K, Santra B, Akter S, Zope RR, Baruah T, Jackson KA, Perdew JP, Peralta JE. Self-interaction error overbinds water clusters but cancels in structural energy differences. Proceedings of the National Academy of Sciences of the United States of America. PMID 32393631 DOI: 10.1073/pnas.1921258117 |
0.92 |
|
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 |
1 |
|
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 |
0.92 |
|
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 |
0.8 |
|
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 |
0.8 |
|
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 |
0.92 |
|
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 |
1 |
|
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 |
0.92 |
|
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 |
0.8 |
|
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 |
1 |
|
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 |
1 |
|
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 |
1 |
|
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 |
0.48 |
|
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 |
1 |
|
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 |
1 |
|
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 |
1 |
|
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 |
1 |
|
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 |
1 |
|
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 |
1 |
|
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 |
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: 355-63. 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 |
1 |
|
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 |
0.8 |
|
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 |
0.8 |
|
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 |
0.8 |
|
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 |
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 |
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 |
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 |
1 |
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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 |
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 |
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 |
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 |
1 |
|
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 |
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 |
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 |
1 |
|
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 |
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 |
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 |
1 |
|
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 |
1 |
|
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 |
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: 026403. PMID 19659225 DOI: 10.1103/PhysRevLett.103.026403 |
1 |
|
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 |
1 |
|
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 |
0.8 |
|
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 |
1 |
|
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 |
0.8 |
|
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 |
0.92 |
|
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 |
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: 036401. PMID 18233011 DOI: 10.1103/PhysRevLett.100.036401 |
0.92 |
|
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 |
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 |
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 |
0.92 |
|
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 |
1 |
|
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 |
1 |
|
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 |
0.8 |
|
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 |
1 |
|
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 |
1 |
|
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 |
0.92 |
|
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 |
1 |
|
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 |
1 |
|
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 |
0.92 |
|
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 |
0.92 |
|
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+ |
1 |
|
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 |
1 |
|
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 |
1 |
|
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 |
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. 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+ |
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 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 |
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 |
|
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 |
0.44 |
|
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 |
0.44 |
|
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 |
0.44 |
|
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. |
0.44 |
|
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. |
0.44 |
|
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. |
0.8 |
|
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 |
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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 |
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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 |
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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 |
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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 |
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2001 |
Springborg M, Perdew JP, Schmidt K. Phase space, density matrices, energy densities, and exchange holes Zeitschrift Fur Physikalische Chemie. 215: 1243-1264. |
1 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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2000 |
Kurth S, Perdew JP. Role of the Exchange-Correlation Energy: Nature's Glue International Journal of Quantum Chemistry. 77: 814-818. |
1 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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1997 |
Perdew JP, Levy M. Comment on "Significance of the highest occupied Kohn-Sham eigenvalue" Physical Review B-Condensed Matter. 56: 16021-16028. |
1 |
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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 |
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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 |
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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 |
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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 DOI: 10.1103/PhysRevLett.77.3865 |
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 DOI: 10.1103/PhysRevB.54.16533 |
1 |
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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 |
0.6 |
|
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 |
0.64 |
|
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 |
0.6 |
|
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 DOI: 10.1103/physrevb.48.4978.2 |
0.76 |
|
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 |
|
1989 |
Perdew JP, Yue W. Erratum: Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation Physical Review. B, Condensed Matter. 40: 3399. PMID 9992292 |
0.44 |
|
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 |
Perdew JP, Yue W. Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation. Physical Review. B, Condensed Matter. 33: 8800-8802. PMID 9938293 |
0.44 |
|
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 |
|
1984 |
Levy M, Perdew JP, Sahni V. Exact differential equation for the density and ionization energy of a many-particle system Physical Review A. 30: 2745-2748. DOI: 10.1103/PhysRevA.30.2745 |
1 |
|
1983 |
Perdew JP, Levy M. Physical content of the exact kohn-sham orbital energies: Band gaps and derivative discontinuities Physical Review Letters. 51: 1884-1887. DOI: 10.1103/PhysRevLett.51.1884 |
1 |
|
1982 |
Perdew JP, Parr RG, Levy M, Balduz JL. Density-functional theory for fractional particle number: Derivative discontinuities of the energy Physical Review Letters. 49: 1691-1694. DOI: 10.1103/PhysRevLett.49.1691 |
1 |
|
1980 |
Perdew JP, Datta T. Charge and Spin Density Waves in Jellium Physica Status Solidi (B). 102: 283-293. DOI: 10.1002/pssb.2221020126 |
1 |
|
1976 |
Perdew JP, Vosko SH. Phonon frequencies of lithium from a local effective potential Journal of Physics F: Metal Physics. 6: 1421-1431. DOI: 10.1088/0305-4608/6/8/005 |
1 |
|
1976 |
MacDonald AH, Perdew JP, Vosko SH. First principles calculations of the volume dependence of the spin susceptibility for Li and Na Solid State Communications. 18: 85-91. DOI: 10.1016/0038-1098(76)91407-1 |
1 |
|
1975 |
Vosko SH, Perdew JP, MacDonald AH. Ab initio calculation of the spin susceptibility for the alkali metals using the density-functional formalism Physical Review Letters. 35: 1725-1728. DOI: 10.1103/PhysRevLett.35.1725 |
1 |
|
1974 |
Perdew JP, Vosko SH. Calculation of the band structure, fermi surface, and interband optical conductivity of lithium Journal of Physics F: Metal Physics. 4: 380-393. DOI: 10.1088/0305-4608/4/3/011 |
1 |
|
1974 |
Wilk L, Perdew JP, Vosko SH. High-energy optical conductivity of lithium: A window for plasmon-induced absorption? Physics Letters A. 48: 379-380. DOI: 10.1016/0375-9601(74)90475-7 |
1 |
|
1974 |
Perdew JP, Vosko SH. Folding and Pseudopotential Theory Physica Status Solidi (B). 63: K47-K49. DOI: 10.1002/pssb.2220630155 |
1 |
|
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