| Spin splitting energy of transition metals: A new, more affordable wave function benchmark method and its use to test density functional theory D Zhang, DG Truhlar Journal of Chemical Theory and Computation 16 (7), 4416-4428, 2020 | 49 | 2020 |
| Unmasking Static Correlation Error in Hybrid Kohn–Sham Density Functional Theory D Zhang, DG Truhlar Journal of Chemical Theory and Computation 16 (9), 5432-5440, 2020 | 30 | 2020 |
| Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy … C Zhou, MR Hermes, D Wu, JJ Bao, R Pandharkar, DS King, D Zhang, ... Chemical Science 13 (26), 7685-7706, 2022 | 22 | 2022 |
| Multiconfiguration density-coherence functional theory D Zhang, MR Hermes, L Gagliardi, DG Truhlar Journal of Chemical Theory and Computation 17 (5), 2775-2782, 2021 | 16 | 2021 |
| Decomposition of the electronic energy in terms of density, density coherence, and the connected part of the two-body reduced density matrix D Zhang, DG Truhlar Journal of Chemical Theory and Computation 17 (9), 5733-5744, 2021 | 7 | 2021 |
| Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory: The Lowest Doublet States Responsible for the N (4Su)+ C2 (a 3Πu)→ CN (X 2Σ+)+ … J Zuo, D Zhang, DG Truhlar, H Guo Journal of Chemical Theory and Computation 18 (12), 7121-7131, 2022 | 5 | 2022 |
| Multiconfigurational Effects on the Density Coherence D Zhang, DG Truhlar Journal of Chemical Theory and Computation 16 (11), 6915-6925, 2020 | 4 | 2020 |
| ChemPotPy: A Python Library for Analytic Representations of Potential Energy Surfaces and Diabatic Potential Energy Matrices Y Shu, Z Varga, D Zhang, DG Truhlar The Journal of Physical Chemistry A 127 (45), 9635-9640, 2023 | 1 | 2023 |
| An Accurate Density Coherence Functional for Hybrid Multiconfiguration Density Coherence Functional Theory D Zhang, DG Truhlar Journal of Chemical Theory and Computation 19 (19), 6551-6556, 2023 | 1 | 2023 |
