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The Journal of Chemical Physics|February 2, 2022
Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional modelDiata Traore, Emmanuel Giner, Julien Toulouse
The Journal of Chemical Physics|May 7, 2022
Basis-set correction for coupled-cluster estimation of dipole momentsDiata Traore, Julien Toulouse, Emmanuel Giner
Faraday Discussions|July 30, 2024
Accelerated basis-set convergence of coupled-cluster excitation energies using the density-based basis-set correction methodDiata Traore, Julien Toulouse, Emmanuel Giner
The Journal of Chemical Physics|June 20, 2023
Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energiesDiata Traore, Emmanuel Giner, Julien Toulouse
The Journal of Chemical Physics|August 3, 2021
Self-consistent density-based basis-set correction: How much do we lower total energies and improve dipole moments?Emmanuel Giner, Diata Traore, Barthélemy Pradines, et al.
The Journal of Chemical Physics|June 8, 2020
Relativistic short-range exchange energy functionals beyond the local-density approximationJulien Paquier, Emmanuel Giner, Julien Toulouse
The Journal of Chemical Physics|March 3, 2019
Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair densityAnthony Ferté, Emmanuel Giner, Julien Toulouse
Communications Chemistry|November 18, 2024
Shortcut to chemically accurate quantum computing via density-based basis-set correctionDiata Traore, Olivier Adjoua, César Feniou, et al.
The Journal of Chemical Physics|October 17, 2019
Chemically accurate excitation energies with small basis setsEmmanuel Giner, Anthony Scemama, Julien Toulouse, et al.
The Journal of Chemical Physics|May 10, 2020
A basis-set error correction based on density-functional theory for strongly correlated molecular systemsEmmanuel Giner, Anthony Scemama, Pierre-François Loos, et al.
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