Assessing the accuracy of TD-DFT excited-state geometries through optimal tuning with GW energy levels | The Journal of Chemical Physics |
- Science: Chemistry: Physical and theoretical chemistry
- Science: Physics: Atomic physics. Constitution and properties of matter
- Science: Chemistry: Physical and theoretical chemistry
- Science: Chemistry
| | 2024 |
Dissecting the ingredients of optimally tuned range-separated hybrid models for reliable description of non-adiabatic couplings | The Journal of Chemical Physics |
- Science: Chemistry: Physical and theoretical chemistry
- Science: Physics: Atomic physics. Constitution and properties of matter
- Science: Chemistry: Physical and theoretical chemistry
- Science: Chemistry
| 1 | 2023 |
SOS1-RSX-QIDH: A spin-opposite-scaled range-separated-exchange quadratic-integrand double-hybrid density functional | The Journal of Chemical Physics |
- Science: Chemistry: Physical and theoretical chemistry
- Science: Physics: Atomic physics. Constitution and properties of matter
- Science: Chemistry: Physical and theoretical chemistry
- Science: Chemistry
| 1 | 2023 |
Transition-Based Constrained DFT for the Robust and Reliable Treatment of Excitations in Supramolecular Systems | Journal of Chemical Theory and Computation |
- Science: Chemistry: Physical and theoretical chemistry
- Science: Physics: Atomic physics. Constitution and properties of matter
- Science: Chemistry: Physical and theoretical chemistry
- Science: Chemistry
| 2 | 2022 |
Local Hybrid Functional Applicable to Weakly and Strongly Correlated Systems | Journal of Chemical Theory and Computation |
- Science: Chemistry: Physical and theoretical chemistry
- Science: Physics: Atomic physics. Constitution and properties of matter
- Science: Chemistry: Physical and theoretical chemistry
- Science: Chemistry
| 12 | 2022 |