| Second-Order CASSCF Algorithm with the Cholesky Decomposition of the Two-Electron Integrals T Nottoli, J Gauss, F Lipparini Journal of Chemical Theory and Computation 17 (11), 6819-6831, 2021 | 30 | 2021 |
| A black-box, general purpose quadratic self-consistent field code with and without Cholesky Decomposition of the two-electron integrals T Nottoli, J Gauss, F Lipparini Molecular Physics 119 (21-22), e1974590, 2021 | 16 | 2021 |
| Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition T Nottoli, S Burger, S Stopkowicz, J Gauss, F Lipparini The Journal of Chemical Physics 157 (8), 2022 | 13 | 2022 |
| Cholesky decomposition of two-electron integrals in quantum-chemical calculations with perturbative or finite magnetic fields using gauge-including atomic orbitals J Gauss, S Blaschke, S Burger, T Nottoli, F Lipparini, S Stopkowicz Molecular Physics 121 (11-12), e2101562, 2023 | 12 | 2023 |
| MBE-CASSCF approach for the accurate treatment of large active spaces J Greiner, I Gianni, T Nottoli, F Lipparini, JJ Eriksen, J Gauss Journal of Chemical Theory and Computation 20 (11), 4663-4675, 2024 | 5 | 2024 |
| Changing aromatic properties through stacking: the face-to-face dimer of Ni (II) bis (pentafluorophenyl) norcorrole Q Wang, D Sundholm, J Gauss, T Nottoli, F Lipparini, S Kino, S Ukai, ... Physical Chemistry Chemical Physics 26 (20), 14777-14786, 2024 | 5 | 2024 |
| A novel coupled-cluster singles and doubles implementation that combines the exploitation of point-group symmetry and Cholesky decomposition of the two-electron integrals T Nottoli, J Gauss, F Lipparini The Journal of Chemical Physics 159 (23), 2023 | 5 | 2023 |
| A robust, open-source implementation of the locally optimal block preconditioned conjugate gradient for large eigenvalue problems in quantum chemistry T Nottoli, I Giannì, A Levitt, F Lipparini Theoretical Chemistry Accounts 142 (8), 69, 2023 | 5 | 2023 |
| Cholesky Decomposition in Spin-Free Dirac–Coulomb Coupled-Cluster Calculations T Uhlířová, D Cianchino, T Nottoli, F Lipparini, J Gauss The Journal of Physical Chemistry A 128 (38), 8292-8303, 2024 | 3 | 2024 |
| The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics M Bondanza, T Nottoli, M Nottoli, L Cupellini, F Lipparini, B Mennucci The Journal of Chemical Physics 160 (13), 2024 | 3 | 2024 |
| Linear response equations revisited: A simple and efficient iterative algorithm R Alessandro, I Giannì, F Pes, T Nottoli, F Lipparini Journal of Chemical Theory and Computation 19 (24), 9025-9031, 2023 | 3 | 2023 |
| Geometric Optimization of Restricted-Open and Complete Active Space Self-Consistent Field Wave Functions L Vidal, T Nottoli, F Lipparini, E Cancès The Journal of Physical Chemistry A 128 (31), 6601-6612, 2024 | 1 | 2024 |
| A polarizable CASSCF/MM approach using the interface between OpenMMPol library and CFour T Nottoli, M Bondanza, F Lipparini, B Mennucci Journal of Computational Chemistry 46 (1), e27550, 2025 | | 2025 |
| Efficient Computations of the Energy and Properties of Larger Molecular Systems Using the Cholesky Decomposition Technique T NOTTOLI | | 2024 |
| Is There a Quadruple Fe-C Bond in FeC(CO)₃? T Nottoli, F Lipparini Computation 9 (9), 95, 2021 | | 2021 |