Jie Bao
Affiliations: | University of Minnesota, Twin Cities, Minneapolis, MN |
Area:
computational/theoreticalGoogle:
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Publications
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| Calio PB, Hermes MR, Bao JJ, et al. (2024) Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory. The Journal of Physical Chemistry. A. 128: 1698-1706 |
| Li Manni G, Fdez Galván I, Alavi A, et al. (2023) The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry. Journal of Chemical Theory and Computation |
| Mitchell EC, Scott TR, Bao JJ, et al. (2022) Application of Multiconfiguration Pair-Density Functional Theory to the Diels-Alder Reaction. The Journal of Physical Chemistry. A |
| Zhou C, Hermes MR, Wu D, et al. (2022) Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory. Chemical Science. 13: 7685-7706 |
| Wu D, Zhou C, Bao JJ, et al. (2022) Zero-Field Splitting Calculations by Multiconfiguration Pair-Density Functional Theory. Journal of Chemical Theory and Computation. 18: 2199-2207 |
| Sharma P, Bao JJ, Truhlar DG, et al. (2021) Multiconfiguration Pair-Density Functional Theory. Annual Review of Physical Chemistry. 72: 541-564 |
| Bao JJ, Zhou C, Truhlar DG. (2020) Compressed-State Multistate Pair-Density Functional Theory. Journal of Chemical Theory and Computation |
| Bao JJ, Zhou C, Varga Z, et al. (2020) Multi-state pair-density functional theory. Faraday Discussions |
| Fernández Galván I, Vacher M, Alavi A, et al. (2019) OpenMolcas: From source code to insight. Journal of Chemical Theory and Computation |
| Bao JJ, Truhlar DG. (2019) Automatic Active Space Selection for Calculating Electronic Excitation Energies Based on High-Spin Unrestricted Hartree-Fock Orbitals. Journal of Chemical Theory and Computation |