| ABINIT: First-principles approach to material and nanosystem properties X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ... Computer Physics Communications 180 (12), 2582-2615, 2009 | 3006 | 2009 |
| Recent developments in the ABINIT software package X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ... Computer physics communications 205, 106-131, 2016 | 834 | 2016 |
| ABINIT: Overview and focus on selected capabilities AH Romero, DC Allan, B Amadon, G Antonius, T Applencourt, L Baguet, ... The Journal of chemical physics 152 (12), 2020 | 247 | 2020 |
| Large bulk photovoltaic effect and spontaneous polarization of single-layer monochalcogenides T Rangel, BM Fregoso, BS Mendoza, T Morimoto, JE Moore, JB Neaton Physical review letters 119 (6), 067402, 2017 | 235 | 2017 |
| molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters F Bruneval, T Rangel, SM Hamed, M Shao, C Yang, JB Neaton Computer Physics Communications 208, 149-161, 2016 | 180 | 2016 |
| Band structure of gold from many-body perturbation theory T Rangel, D Kecik, PE Trevisanutto, GM Rignanese, H Van Swygenhoven, ... Physical Review B—Condensed Matter and Materials Physics 86 (12), 125125, 2012 | 145 | 2012 |
| Structural and excited-state properties of oligoacene crystals from first principles T Rangel, K Berland, S Sharifzadeh, F Brown-Altvater, K Lee, ... Physical Review B 93 (11), 115206, 2016 | 121 | 2016 |
| An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation T Rangel, SM Hamed, F Bruneval, JB Neaton The Journal of Chemical Physics 146 (19), 2017 | 103 | 2017 |
| Evaluating the GW Approximation with CCSD(T) for Charged Excitations Across the Oligoacenes T Rangel, SM Hamed, F Bruneval, JB Neaton Journal of chemical theory and computation 12 (6), 2834-2842, 2016 | 95 | 2016 |
| Band structure tunability in MoS under interlayer compression: A DFT and study C Espejo, T Rangel, AH Romero, X Gonze, GM Rignanese Physical Review B—Condensed Matter and Materials Physics 87 (24), 245114, 2013 | 64 | 2013 |
| Towards predictive band gaps for halide perovskites: Lessons from one-shot and eigenvalue self-consistent L Leppert, T Rangel, JB Neaton Physical Review Materials 3 (10), 103803, 2019 | 56 | 2019 |
| Ab initio phonon dispersion in crystalline naphthalene using van der Waals density functionals F Brown-Altvater, T Rangel, JB Neaton Physical Review B 93 (19), 195206, 2016 | 54 | 2016 |
| Enhancement of CO 2 binding and mechanical properties upon diamine functionalization of M 2 (dobpdc) metal–organic frameworks JH Lee, RL Siegelman, L Maserati, T Rangel, BA Helms, JR Long, ... Chemical science 9 (23), 5197-5206, 2018 | 53 | 2018 |
| Reproducibility in G0W0 calculations for solids T Rangel, M Del Ben, D Varsano, G Antonius, F Bruneval, FH da Jornada, ... Computer Physics Communications 255, 107242, 2020 | 51 | 2020 |
| Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules K Berland, Y Jiao, JH Lee, T Rangel, JB Neaton, P Hyldgaard The Journal of Chemical Physics 146 (23), 2017 | 51 | 2017 |
| Transport properties of molecular junctions from many-body perturbation theory T Rangel, A Ferretti, PE Trevisanutto, V Olevano, GM Rignanese Physical Review B—Condensed Matter and Materials Physics 84 (4), 045426, 2011 | 48 | 2011 |
| Low-lying excited states in crystalline perylene T Rangel, A Rinn, S Sharifzadeh, FH da Jornada, A Pick, SG Louie, ... Proceedings of the National Academy of Sciences 115 (2), 284-289, 2018 | 42 | 2018 |
| A wavelet-based Projector Augmented-Wave (PAW) method: Reaching frozen-core all-electron precision with a systematic, adaptive and localized wavelet basis set T Rangel, D Caliste, L Genovese, M Torrent Computer Physics Communications 208, 1-8, 2016 | 37 | 2016 |
| Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene F Brown-Altvater, G Antonius, T Rangel, M Giantomassi, C Draxl, X Gonze, ... Physical Review B 101 (16), 165102, 2020 | 35 | 2020 |
| Injection current in ferroelectric group-IV monochalcogenide monolayers SR Panday, S Barraza-Lopez, T Rangel, BM Fregoso Physical Review B 100 (19), 195305, 2019 | 30 | 2019 |
