| 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 | 28 | 2018 |
| 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 | 23 | 2017 |
| DoNOF: an open-source implementation of natural-orbital-functional-based methods for quantum chemistry M Piris, I Mitxelena Computer Physics Communications 259, 107651, 2021 | 16 | 2021 |
| An efficient method for strongly correlated electrons in one dimension I Mitxelena, M Piris Journal of Physics: Condensed Matter 32 (17), 17LT01, 2020 | 16 | 2020 |
| Molecular electric moments calculated by using natural orbital functional theory I Mitxelena, M Piris The Journal of chemical physics 144 (20), 204108, 2016 | 15 | 2016 |
| An efficient method for strongly correlated electrons in two-dimensions I Mitxelena, M Piris The Journal of chemical physics 152 (6), 064108, 2020 | 14 | 2020 |
| 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 | 10 | 2018 |
| 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 | 9 | 2021 |
| Using quantum-chemical parameters for predicting anti-radical (но∙) activity of related structures containing a cinnamic mold fragment. i. derivatives of cinnamic acid, chalcon … OE Tonikovich, GA Alexeevich Фармация и фармакология 7 (1 (eng)), 53-66, 2019 | 9 | 2019 |
| Analytic gradients for natural orbital functional theory I Mitxelena, M Piris The Journal of Chemical Physics 146 (1), 014102, 2017 | 8 | 2017 |
| Analytic gradients for spin multiplets in natural orbital functional theory I Mitxelena, M Piris The Journal of Chemical Physics 153 (4), 044101, 2020 | 7 | 2020 |
| 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 | 7 | 2019 |
| An adiabatic connection for doubly-occupied configuration interaction wave functions N Vu, I Mitxelena, AE DePrince III The Journal of Chemical Physics 151 (24), 244121, 2019 | 4 | 2019 |
| Advances in approximate natural orbital functional theory I Mitxelena, M Piris, JM Ugalde Advances in Quantum Chemistry 79, 155-177, 2019 | 4 | 2019 |
| Benchmarking GNOF against FCI in challenging systems in one, two, and three dimensions I Mitxelena, M Piris The Journal of Chemical Physics 156 (21), 214102, 2022 | 3 | 2022 |
| Markov state models from hierarchical density-based assignment I Mitxelena, X López, D de Sancho The Journal of Chemical Physics 155 (5), 054102, 2021 | | 2021 |
| Analytic second-order energy derivatives in natural orbital functional theory I Mitxelena, M Piris Journal of Mathematical Chemistry 56 (5), 1445-1455, 2018 | | 2018 |
| Simulación Del Tráfico De Entrada Al Campus De Leioa-Erandio: Análisis Y Solución De Los Atascos I Mitxelena, I Etxebarria | | |
Mario PirisDIPC & UPV/EHU & IKERBASQUEDirección de correo verificada de ehu.eus
