Resolution of the identity approximation applied to PNOF correlation calculations JFH Lew-Yee, M Piris, J M del Campo The Journal of Chemical Physics 154 (6), 2021 | 12 | 2021 |
Asymmetric density fitting with modified Cholesky decomposition applied to second-order electron propagator JFH Lew-Yee, R Flores-Moreno, JL Morales, J M. del Campo Journal of Chemical Theory and Computation 16 (3), 1597-1605, 2020 | 9 | 2020 |
Electron correlation in the iron (II) porphyrin by natural orbital functional approximations JFH Lew-Yee, JM Del Campo, M Piris Journal of Chemical Theory and Computation 19 (1), 211-220, 2022 | 8 | 2022 |
Outstanding improvement in removing the delocalization error by global natural orbital functional JF Huan Lew-Yee, M Piris, JM Del Campo The Journal of Chemical Physics 158 (8), 2023 | 6 | 2023 |
Charge delocalization error in Piris natural orbital functionals JFH Lew-Yee, J M del Campo The Journal of Chemical Physics 157 (10), 2022 | 6 | 2022 |
Correlation balance for describing carbenes: An NOF study L Franco, JFH Lew-Yee, J M del Campo AIP Advances 13 (6), 2023 | 2 | 2023 |
Machine learning activation function parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches L Franco, IA Bonfil-Rivera, JF Lew-Yee, M Piris, JM del Campo, ... arXiv preprint arXiv:2403.09463, 2024 | | 2024 |
Excited States by Coupling Piris Natural Orbital Functionals with the Extended Random-Phase Approximation JFH Lew-Yee, IA Bonfil-Rivera, M Piris, J M. del Campo Journal of Chemical Theory and Computation, 2024 | | 2024 |