| Localized Orbital Scaling Correction for Systematic Elimination of Delocalization Error in Density Functional Approximations C Li, X Zheng, NQ Su, W Yang National Science Review 5, 203, 2017 | 174 | 2017 |
| Local Scaling Correction for Reducing Delocalization Error in Density Functional Approximations C Li, X Zheng, AJ Cohen, P Mori-Sánchez, W Yang Phys. Rev. Lett. 114, 053001, 2015 | 100 | 2015 |
| Local Scaling Correction for Reducing Delocalization Errors in Density Functional Approximations C Li, X Zheng, A J. Cohen, P Mori-Sánchez, W Yang 16th International Conference on Density Functional Theory and its Applications, 2015 | 100 | 2015 |
| Describing strong correlation with fractional-spin correction in density functional theory NQ Su, C Li, W Yang Proc. Natl. Acad. Sci. 115, 9678, 2018 | 82 | 2018 |
| Understanding Electron–Phonon Interactions in 3D Lead Halide Perovskites from the Stereochemical Expression of 6s2 Lone Pairs X Huang, X Li, Y Tao, S Guo, J Gu, H Hong, Y Yao, Y Guan, Y Gao, C Li, ... J. Am. Chem. Soc. 144 (27), 12247, 2022 | 69 | 2022 |
| Approximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn-Sham Calculations Y Mei, C Li, NQ Su, W Yang J. Phys. Chem. A. 123 (3), 666-673, 2018 | 42 | 2018 |
| Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF C Li, R Requist, EKU Gross J. Chem. Phys. 148, 084110, 2018 | 38 | 2018 |
| On the piecewise convex or concave nature of ground state energy as a function of fractional number of electrons for approximate density functionals C Li, W Yang J. Chem. Phys. 146 (7), 074107, 2017 | 27 | 2017 |
| Energy, Momentum and Angular Momentum Transfer Between Electrons and Nuclei C Li, R Ryan, EKU Gross Phys. Rev. Lett. 128, 113001, 2022 | 25 | 2022 |
| Orbital relaxation effects on Kohn–Sham frontier orbital energies in density functional theory D Zhang, X Zheng, C Li, W Yang J. Chem. Phys. 142 (15), 154113, 2015 | 24 | 2015 |
| Alkaline earth metal promoted hydrogen production from ammonia decomposition over Ni/La2O3-based catalysts XY Guo, JH Wang, Q Zhang, TZ Li, H Dong, CJ Jia, C Li, Y Zhang Applied Catalysis B: Environment and Energy 348, 2024 | 21 | 2024 |
| Bifunctional Near-Neutral Electrolyte Enhances Oxygen Evolution Reaction K Zhao, Y Tao, L Fu, C Li, B Xu Angew. Chem. Int. Ed., 2023 | 21 | 2023 |
| Scaling correction approaches for reducing delocalization error in density functional approximations X Zheng, C Li, D Zhang, W Yang Science China Chemistry, 2015 | 21 | 2015 |
| Correlating Photophysical Properties with Stereochemical Expression of 6s2 Lone Pairs in Two-dimensional Lead Halide Perovskites J Gu, Y Tao, T Fu, S Guo, X Jiang, Y Guan, X Li, C Li, X Lü, Y Fu Angew. Chem. Int. Ed. 62 (30), e202304515, 2023 | 20 | 2023 |
| Exact Analytical Solution of the Ground-State Hydrogenic Problem with Soft Coulomb Potential C Li J. Phys. Chem. A. 125 (23), 5146-5151, 2021 | 12 | 2021 |
| Gentlest Ascent Dynamics for Calculating First Excited State and Exploring Landscapes of Density Functionals C Li, J Lu, W Yang Bulletin of the American Physical Society, 2016 | 12* | 2016 |
| Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals C Li, J Lu, W Yang J. Chem. Phys. 143 (22), 224110, 2015 | 12 | 2015 |
| On extending Kohn-Sham density functionals to systems with fractional number of electrons C Li, J Lu, W Yang J. Chem. Phys. 146 (21), 214109, 2017 | 11 | 2017 |
| Atomically Dispersed N/O-Coordinated Cobalt Catalyst Enables Aerobic Oxygenation of Olefins under Ambient Conditions K Zhao, Q Shen, Y Tao, J Li, M Wang, C Li, B Xu ACS Catal. 13 (19), 12591, 2023 | 10 | 2023 |
| Geometric energy transfer in two-component systems R Requist, C Li, EKU Gross Phil. Trans. R. Soc. A. 380, 20200383, 2022 | 7 | 2022 |
Weitao YangPhilip Handler Professor, Department of Chemistry, Duke UniversityAdresse e-mail validée de duke.edu
