| Transition-potential coupled cluster M Simons, DA Matthews The Journal of Chemical Physics 154 (1), 2021 | 15 | 2021 |
| Transition-Potential Coupled Cluster II: Optimisation of the Core Orbital Occupation Number M Simons, DA Matthews Molecular Physics 121 (11-12), e2088421, 2023 | 6 | 2023 |
| Accurate core-excited states via inclusion of core triple excitations in similarity-transformed equation-of-motion theory M Simons, DA Matthews Journal of Chemical Theory and Computation 18 (6), 3759-3765, 2022 | 6 | 2022 |
| Open-Shell Tensor Hypercontraction T Zhao, M Simons, DA Matthews Journal of Chemical Theory and Computation 19 (13), 3996-4010, 2023 | 4 | 2023 |
| Transition Moments for STEOM-CCSD with core triples M Simons, DA Matthews Journal of Chemical Theory and Computation 19 (15), 4965-4969, 2023 | | 2023 |
| New Methods for Core-Hole Spectroscopy Based on Coupled Cluster Theory M Simons | | 2023 |
| New Methods For Core-hole Spectroscopy Based On Coupled Cluster M Simons International Symposium on Molecular Spectroscopy, 2022 | | 2022 |
| Accurate core-excited states via inclusion of core triple excitations in similarity-transformed EOM theory M Simons, DA Matthews arXiv preprint arXiv:2203.09491, 2022 | | 2022 |
| DFT study of ligand binding in the β1 adrenergic receptor D Safarian, M Simons, RG Evans, LW Peterson, M Cafiero Computational and Theoretical Chemistry 1199, 113208, 2021 | | 2021 |
| DFT study of the selectivity of the beta-1 adrenergic receptor M Simons, L Peterson, M Cafiero ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
