| Comprehensive benchmarking of density matrix functional approximations M Rodríguez-Mayorga, E Ramos-Cordoba, M Via-Nadal, M Piris, E Matito Physical Chemistry Chemical Physics 19 (35), 24029-24041, 2017 | 44 | 2017 |
| Phase dilemma in natural orbital functional theory from the N-representability perspective I Mitxelena, M Rodriguez-Mayorga, M Piris The European Physical Journal B 91, 1-7, 2018 | 35 | 2018 |
| Singling out dynamic and nondynamic correlation M Via-Nadal, M Rodríguez-Mayorga, E Ramos-Cordoba, E Matito The Journal of Physical Chemistry Letters 10 (14), 4032-4037, 2019 | 26 | 2019 |
| On the performance of natural orbital functional approximations in the Hubbard model I Mitxelena, M Piris, M Rodríguez-Mayorga Journal of Physics: Condensed Matter 29 (42), 425602, 2017 | 26 | 2017 |
| Coupling natural orbital functional theory and many-body perturbation theory by using nondynamically correlated canonical orbitals M Rodríguez-Mayorga, I Mitxelena, F Bruneval, M Piris Journal of chemical theory and computation 17 (12), 7562-7574, 2021 | 20 | 2021 |
| Bonding description of the Harpoon mechanism M Rodríguez-Mayorga, E Ramos-Cordoba, P Salvador, M Solŕ, E Matito Molecular Physics 114 (7-8), 1345-1355, 2016 | 19 | 2016 |
| Electron correlation effects in third-order densities M Rodriguez-Mayorga, E Ramos-Cordoba, F Feixas, E Matito Physical Chemistry Chemical Physics 19 (6), 4522-4529, 2017 | 18 | 2017 |
| Salient signature of van der Waals interactions M Via-Nadal, M Rodríguez-Mayorga, E Matito Physical Review A 96 (5), 050501, 2017 | 16 | 2017 |
| Corrigendum:``On the performance of natural orbital functional approximations in the Hubbard model''[J. Phys.: Condens. Matter 29 (2017) 425602]. I Mitxelena, M Piris, R Mayorga Journal of physics. Condensed Matter: an Institute of Physics Journal, 2018 | 13 | 2018 |
| Relativistic reduced density matrix functional theory. M Rodríguez-Mayorga, K Giesbertz, L Visscher SciPost Chemistry 1 (2), 004, 2022 | 12 | 2022 |
| A machine learning approach for MP2 correlation energies and its application to organic compounds R Han, M Rodriguez-Mayorga, S Luber Journal of chemical theory and computation 17 (2), 777-790, 2021 | 12 | 2021 |
| Improved one-shot total energies from the linearized GW density matrix F Bruneval, M Rodriguez-Mayorga, P Rinke, M Dvorak Journal of Chemical Theory and Computation 17 (4), 2126-2136, 2021 | 11 | 2021 |
| Three-center bonding analyzed from correlated and uncorrelated third-order reduced density matrices F Feixas, M Rodriguez-Mayorga, E Matito, M Solŕ Computational and Theoretical Chemistry 1053, 173-179, 2015 | 11 | 2015 |
| Natural orbital functional for spin-polarized periodic systems R Quintero-Monsebaiz, I Mitxelena, M Rodríguez-Mayorga, A Vela, ... Journal of Physics: Condensed Matter 31 (16), 165501, 2019 | 9 | 2019 |
| Singling out weak and strong correlation M Via-Nadal, M Rodríguez-Mayorga, E Ramos-Cordoba, E Matito J. Phys. Chem. Lett 10, 4032-4037, 2019 | 9 | 2019 |
| The Coulomb hole of the Ne atom M Rodríguez‐Mayorga, E Ramos‐Cordoba, X Lopez, M Solŕ, JM Ugalde, ... ChemistryOpen 8 (4), 411-417, 2019 | 8 | 2019 |
| Electron-pair distribution in chemical bond formation M Rodríguez-Mayorga, M Via-Nadal, M Solŕ, JM Ugalde, X Lopez, ... The Journal of Physical Chemistry A 122 (7), 1916-1923, 2018 | 8 | 2018 |
| Partition of optical properties into orbital contributions SP Sitkiewicz, M Rodriguez-Mayorga, JM Luis, E Matito Physical Chemistry Chemical Physics 21 (28), 15380-15391, 2019 | 7 | 2019 |
| The electron-pair density distribution of the 1,3Πu excited states of H2 JM Mercero, M Rodriguez-Mayorga, E Matito, X Lopez, JM Ugalde Canadian Journal of Chemistry 94 (12), 998-1001, 2016 | 6 | 2016 |
| Assessment of the nonempirical r2SCAN-QIDH double-hybrid density functional against large and diverse datasets E Brémond, M Rodríguez-Mayorga, AJ Pérez-Jiménez, C Adamo, ... The Journal of Chemical Physics 159 (14), 2023 | 4 | 2023 |
Eduard MatitoDonostia International Physics Center (DIPC)Verified email at dipc.org
