Publications by authors named "Diata Traore"

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Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction method.
Diata Traore, Julien Toulouse, Emmanuel Giner

Faraday Discuss· November 2024

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Shortcut to chemically accurate quantum computing via density-based basis-set correction.
Diata Traore, Olivier Adjoua, César Feniou, Ioanna-Maria Lygatsika, Yvon Maday

Commun Chem· November 2024

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Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies.
Diata Traore, Emmanuel Giner, Julien Toulouse

J Chem Phys· June 2023

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Basis-set correction for coupled-cluster estimation of dipole moments.
Diata Traore, Julien Toulouse, Emmanuel Giner

J Chem Phys· May 2022

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Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model.
Diata Traore, Emmanuel Giner, Julien Toulouse

J Chem Phys· January 2022

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Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?
Emmanuel Giner, Diata Traore, Barthélemy Pradines, Julien Toulouse

J Chem Phys· July 2021

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