| Multireference driven similarity renormalization group: A second-order perturbative analysis C Li, FA Evangelista Journal of Chemical Theory and Computation 11 (5), 2097-2108, 2015 | 90 | 2015 |
| A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes JB Schriber, KP Hannon, C Li, FA Evangelista Journal of chemical theory and computation 14 (12), 6295-6305, 2018 | 58 | 2018 |
| An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory KP Hannon, C Li, FA Evangelista The Journal of Chemical Physics 144 (20), 2016 | 51 | 2016 |
| Driven similarity renormalization group: Third-order multireference perturbation theory C Li, FA Evangelista The Journal of Chemical Physics 146 (12), 2017 | 49 | 2017 |
| Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one-and two-body operators C Li, FA Evangelista The Journal of Chemical Physics 144 (16), 2016 | 47 | 2016 |
| Driven similarity renormalization group for excited states: A state-averaged perturbation theory C Li, FA Evangelista The Journal of Chemical Physics 148 (12), 2018 | 38 | 2018 |
| Tuning the quantum dot (QD)/mediator interface for optimal efficiency of QD-sensitized near-infrared-to-visible photon upconversion systems Z Xu, Z Huang, C Li, T Huang, FA Evangelista, ML Tang, T Lian ACS applied materials & interfaces 12 (32), 36558-36567, 2020 | 35 | 2020 |
| Multireference theories of electron correlation based on the driven similarity renormalization group C Li, FA Evangelista Annual Review of Physical Chemistry 70, 245-273, 2019 | 33 | 2019 |
| Improving the efficiency of the multireference driven similarity renormalization group via sequential transformation, density fitting, and the noninteracting virtual orbital … T Zhang, C Li, FA Evangelista Journal of Chemical Theory and Computation 15 (8), 4399-4414, 2019 | 24 | 2019 |
| Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods C Li, R Lindh, FA Evangelista The Journal of Chemical Physics 150 (14), 2019 | 20 | 2019 |
| Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure, and Excited State Dynamics Y Huang, Z Xu, S Jin, C Li, K Warncke, FA Evangelista, T Lian, E Egap Chemistry of Materials 30 (21), 7840-7851, 2018 | 17 | 2018 |
| Spin-free formulation of the multireference driven similarity renormalization group: A benchmark study of first-row diatomic molecules and spin-crossover energetics C Li, FA Evangelista The Journal of Chemical Physics 155 (11), 2021 | 16 | 2021 |
| A low-cost approach to electronic excitation energies based on the driven similarity renormalization group C Li, P Verma, KP Hannon, FA Evangelista The Journal of Chemical Physics 147 (7), 2017 | 16 | 2017 |
| Theoretical calculation of core-excited states along dissociative pathways beyond second-order perturbation theory M Huang, C Li, FA Evangelista Journal of Chemical Theory and Computation 18 (1), 219-233, 2021 | 15 | 2021 |
| Erratum:“Driven similarity renormalization group: Third-order multireference perturbation theory”[J. Chem. Phys. 146, 124132 (2017)] C Li, FA Evangelista The Journal of Chemical Physics 148 (7), 2018 | 12 | 2018 |
| Intricate Internal Rotation Surface and Fundamental Infrared Transitions of the n-Propyl Radical C Li, J Agarwal, CH Wu, WD Allen, HF Schaefer III The Journal of Physical Chemistry B 119 (3), 728-735, 2015 | 12 | 2015 |
| The Remarkable [ReH9]2– Dianion: Molecular Structure and Vibrational Frequencies C Li, J Agarwal, HF Schaefer III The Journal of Physical Chemistry B 118 (24), 6482-6490, 2014 | 12 | 2014 |
| Leveraging small-scale quantum computers with unitarily downfolded hamiltonians R Huang, C Li, FA Evangelista PRX Quantum 4 (2), 020313, 2023 | 11 | 2023 |
| Analytic energy gradients for the driven similarity renormalization group multireference second-order perturbation theory S Wang, C Li, FA Evangelista Journal of Chemical Theory and Computation 17 (12), 7666-7681, 2021 | 11 | 2021 |
| Analytic gradients for the single-reference driven similarity renormalization group second-order perturbation theory S Wang, C Li, FA Evangelista The Journal of Chemical Physics 151 (4), 2019 | 11 | 2019 |
Francesco EvangelistaProfessor, Emory UniversityVerified email at emory.edu
