| Strongly Constrained and Appropriately Normed Semilocal Density Functional J Sun, A Ruzsinszky, JP Perdew Physical Review Letters 115 (3), 036402, 2015 | 3581 | 2015 |
| Density functional theory is straying from the path toward the exact functional MG Medvedev, IS Bushmarinov, J Sun, JP Perdew, KA Lyssenko Science 355 (6320), 49-52, 2017 | 1063 | 2017 |
| Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ... Nature chemistry 8 (9), 831, 2016 | 978 | 2016 |
| Accurate and numerically efficient rSCAN meta-generalized gradient approximation JW Furness, AD Kaplan, J Ning, JP Perdew, J Sun arXiv preprint arXiv:2008.03374, 2020 | 788 | 2020 |
| Workhorse semilocal density functional for condensed matter physics and quantum chemistry JP Perdew, A Ruzsinszky, GI Csonka, LA Constantin, J Sun Physical review letters 103 (2), 026403, 2009 | 760 | 2009 |
| Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation H Peng, ZH Yang, JP Perdew, J Sun Physical Review X 6 (4), 041005, 2016 | 728 | 2016 |
| Understanding band gaps of solids in generalized Kohn–Sham theory JP Perdew, W Yang, K Burke, Z Yang, EKU Gross, M Scheffler, ... Proceedings of the National Academy of Sciences 114 (11), 2801-2806, 2017 | 572 | 2017 |
| Some fundamental issues in ground-state density functional theory: A guide for the perplexed JP Perdew, A Ruzsinszky, LA Constantin, J Sun, GI Csonka Journal of Chemical Theory and Computation 5 (4), 902-908, 2009 | 471 | 2009 |
| Energetics of MnO 2 polymorphs in density functional theory DA Kitchaev, H Peng, Y Liu, J Sun, JP Perdew, G Ceder Physical Review B 93 (4), 045132, 2016 | 286 | 2016 |
| Self-consistent meta-generalized gradient approximation within the projector-augmented-wave method J Sun, M Marsman, GI Csonka, A Ruzsinszky, P Hao, YS Kim, G Kresse, ... Physical Review B 84 (3), 035117, 2011 | 286 | 2011 |
| Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA Y Zhang, J Sun, JP Perdew, X Wu Physical Review B 96 (3), 035143, 2017 | 272 | 2017 |
| Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality A Patra, JE Bates, J Sun, JP Perdew Proceedings of the National Academy of Sciences, 201713320, 2017 | 243 | 2017 |
| Density Functionals that Recognize Covalent, Metallic, and Weak Bonds J Sun, B Xiao, Y Fang, R Haunschild, P Hao, A Ruzsinszky, GI Csonka, ... Physical Review Letters 111 (10), 106401, 2013 | 233 | 2013 |
| Semilocal and hybrid meta-generalized gradient approximations based on the understanding of the kinetic-energy-density dependence J Sun, R Haunschild, B Xiao, IW Bulik, GE Scuseria, JP Perdew The Journal of Chemical Physics 138 (4), 044113, 2013 | 233 | 2013 |
| Efficient first-principles prediction of solid stability: Towards chemical accuracy Y Zhang, DA Kitchaev, J Yang, T Chen, ST Dacek, RA Sarmiento-Pérez, ... npj Computational Materials 4 (1), 9, 2018 | 232 | 2018 |
| More realistic band gaps from meta-generalized gradient approximations: Only in a generalized Kohn-Sham scheme Z Yang, H Peng, J Sun, JP Perdew Physical Review B 93 (20), 205205, 2016 | 200 | 2016 |
| DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science AM Teale, T Helgaker, A Savin, C Adano, B Aradi, AV Arbuznikov, P Ayers, ... Physical Chemistry Chemical Physics, 2022 | 182 | 2022 |
| Communication: Effect of the orbital-overlap dependence in the meta generalized gradient approximation J Sun, B Xiao, A Ruzsinszky Journal of Chemical Physics 137 (5), 051101, 2012 | 175 | 2012 |
| van der Waals bilayer energetics: Generalized stacking-fault energy of graphene, boron nitride, and graphene/boron nitride bilayers S Zhou, J Han, S Dai, J Sun, DJ Srolovitz Physical Review B 92 (15), 155438, 2015 | 160 | 2015 |
| Semilocal density functional obeying a strongly tightened bound for exchange J Sun, JP Perdew, A Ruzsinszky Proceedings of the National Academy of Sciences 112 (3), 685-689, 2015 | 154 | 2015 |
John P. PerdewTemple UniversityVerified email at temple.edu
