Diata Traore

(Index)

Publications

[7] Shortcut to Chemically Accurate Quantum Computing via Density-based Basis-set Correction
D. Traore, O. Adjoua, C. Féniou, I.-M. Lygatsika, Y. Maday, E. Posenitskiy, K. Hammernik, A. Peruzzo, J. Toulouse, E. Giner, J.-P. Piquemal, Manuscript Submitted (2024)

[6] Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method
D. Traore, J. Toulouse, E. Giner, Faraday Discussions (2024)

[5] Overlap-ADAPT-VQE: Practival quantum chemistry on quantum computers via overlap-guided compact ansätze
C. Feniou, M. Hassan, D. Traore, E. Giner, Y. Maday, JP. Piquemal, Commmunication Physics 6, 192 (2023)

[4] Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies
D. Traore, E. Giner, J. Toulouse, Journal of Chemical Physics 158, 234107 (2023)

[3] Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model
D. Traore, E. Giner, J. Toulouse, Journal of Chemical Physics 156 044113 1-13 (2022)

[2] Basis-set correction for coupled-cluster estimation of dipole moments
D. Traore, J. Toulouse, E. Giner, Journal of Chemical Physics 156 174101 1-9 (2022)

[1] 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, Journal of Chemical Physics 155, 204104 1-10 (2021)

Phd thesis

L’extension de la méthode de correction de base par la densité pour les calculs de propriétés moléculaires (2024)