Overlap-ADAPT-VQE: practical quantum chemistry on quantum computers via overlap-guided compact Ansätze C Feniou, M Hassan, D Traoré, E Giner, Y Maday, JP Piquemal Communications Physics 6 (1), 192, 2023 | 20 | 2023 |
Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments? E Giner, D Traore, B Pradines, J Toulouse The Journal of Chemical Physics 155 (4), 2021 | 13 | 2021 |
Basis-set correction for coupled-cluster estimation of dipole moments D Traore, J Toulouse, E Giner The Journal of Chemical Physics 156 (17), 2022 | 8 | 2022 |
Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model D Traore, E Giner, J Toulouse The Journal of Chemical Physics 156 (4), 2022 | 8 | 2022 |
Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies D Traore, E Giner, J Toulouse The Journal of Chemical Physics 158 (23), 2023 | 6 | 2023 |
Shortcut to Chemically Accurate Quantum Computing via Density-based Basis-set Correction D Traore, O Adjoua, C Feniou, IM Lygatsika, Y Maday, E Posenitskiy, ... arXiv preprint arXiv:2405.11567, 2024 | | 2024 |
Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method D Traore, J Toulouse, E Giner arXiv preprint arXiv:2402.16378, 2024 | | 2024 |
Sorbonne Université D Traore Université Paul Sabatier, 2023 | | 2023 |
The extension of the density-based basis-set correction method for calculations of molecular properties D Traore Sorbonne université, 2023 | | 2023 |
L'extension de la méthode de correction de base par la densité pour les calculs de propriétés moléculaires D Traore Sorbonne Université, 2023 | | 2023 |
DEVELOPMENT AND TEST OF SELF-CONSISTENT FIELD EQUATIONS FOR THE RANGE-SEPARATED DENSITY FUNCTIONAL THEORY AND THE BASIS-SET CORRECTION METHOD D Traore | | 2020 |
Supplementary Information for “Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies” D Traore, E Giner, J Toulouse | | |
Basis-set correction for coupled-cluster estimation of dipole moments Supplementary information D Traore, J Toulouse, E Giner | | |