Diata Traore

(Index)

Publications

[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, Manuscript Submitted (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)