| 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), 831-836, 2016 | 808 | 2016 |
| 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 | 597 | 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 | 465 | 2017 |
| 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 | 175 | 2016 |
| A brief compendium of time-dependent density functional theory CA Ullrich, Z Yang Brazilian Journal of Physics 44, 154-188, 2014 | 153 | 2014 |
| Full self-consistency in the Fermi-orbital self-interaction correction Z Yang, MR Pederson, JP Perdew Physical Review A 95 (5), 052505, 2017 | 108 | 2017 |
| Simple screened exact-exchange approach for excitonic properties in solids Z Yang, F Sottile, CA Ullrich Physical Review B 92 (3), 035202, 2015 | 69 | 2015 |
| Direct calculation of exciton binding energies with time-dependent density-functional theory Z Yang, CA Ullrich Physical Review B 87 (19), 195204, 2013 | 65 | 2013 |
| Exact and approximate Kohn-Sham potentials in ensemble density-functional theory Z Yang, JR Trail, A Pribram-Jones, K Burke, RJ Needs, CA Ullrich Physical Review A 90 (4), 042501, 2014 | 62 | 2014 |
| Excitations and benchmark ensemble density functional theory for two electrons A Pribram-Jones, Z Yang, JR Trail, K Burke, RJ Needs, CA Ullrich The Journal of chemical physics 140 (18), 2014 | 54 | 2014 |
| Direct extraction of excitation energies from ensemble density-functional theory Z Yang, A Pribram-Jones, K Burke, CA Ullrich Physical Review Letters 119 (3), 033003, 2017 | 53 | 2017 |
| Excitons in time-dependent density-functional theory CA Ullrich, Z Yang Density-Functional Methods for Excited States, 185-217, 2016 | 36 | 2016 |
| A minimal model for excitons within time-dependent density-functional theory Z Yang, Y Li, CA Ullrich The Journal of chemical physics 137 (1), 2012 | 35 | 2012 |
| SCAN: An efficient density functional yielding accurate structures and energies of diversely-bonded materials J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ... arXiv preprint arXiv:1511.01089, 2015 | 22 | 2015 |
| Communication: Near-locality of exchange and correlation density functionals for 1-and 2-electron systems J Sun, JP Perdew, Z Yang, H Peng The Journal of Chemical Physics 144 (19), 2016 | 20 | 2016 |
| First-principles study of the binding energy between nanostructures and its scaling with system size J Tao, Y Jiao, Y Mo, ZH Yang, JX Zhu, P Hyldgaard, JP Perdew Physical Review B 97 (15), 155143, 2018 | 18 | 2018 |
| Effect of cusps in time-dependent quantum mechanics Z Yang, NT Maitra, K Burke Physical Review Letters 108 (6), 063003, 2012 | 16 | 2012 |
| SCAN+ rVV10: A promising van der Waals density functional H Peng, ZH Yang, J Sun, JP Perdew arXiv preprint arXiv:1510.05712, 2015 | 15 | 2015 |
| Must Kohn–Sham oscillator strengths be accurate at threshold? Z Yang, M van Faassen, K Burke The Journal of chemical physics 131 (11), 2009 | 12 | 2009 |
| Displacement damage in silicon studied by the electronic force field method in the keV regime M Lan, ZH Yang, X Wang Computational Materials Science 179, 109697, 2020 | 9 | 2020 |
