Emmanuel Giner, PhD
Affiliations: | 2011-2014 | Physics | Université Toulouse III - Paul Sabatier, Toulouse, Occitanie, France |
2017- | Theoretical Chemistry | Sorbonne Université, Paris, France |
Area:
Theoretical Chemistry, PhysicsWebsite:
https://www.researchgate.net/profile/Emmanuel_GinerGoogle:
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Cross-listing: Physics Tree
Parents
Sign in to add mentorMichel Caffarel | grad student | 2011-2014 | Université Toulouse III - Paul Sabatier | |
(Méthodes d'interaction de configurations et Monte Carlo quantique : marier le meilleur des deux mondes) | ||||
Anthony Scemama | grad student | 2011-2014 | Université Toulouse III - Paul Sabatier | |
(Méthodes d'interaction de configurations et Monte Carlo quantique : marier le meilleur des deux mondes) |
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Publications
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Ferté A, Giner E, Taïeb R, et al. (2023) Unraveling the variational breakdown of core valence separation calculations: Diagnostic and cure to the over relaxation error of double core hole states. The Journal of Chemical Physics. 159 |
Ammar A, Scemama A, Giner E. (2023) Transcorrelated selected configuration interaction in a bi-orthonormal basis and with a cheap three-body correlation factor. The Journal of Chemical Physics. 159 |
Ammar A, Scemama A, Giner E. (2023) Biorthonormal Orbital Optimization with a Cheap Core-Electron-Free Three-Body Correlation Factor for Quantum Monte Carlo and Transcorrelation. Journal of Chemical Theory and Computation |
Traore D, Giner E, Toulouse J. (2023) Basis-set correction based on density-functional theory: Linear-response formalism for excited-state energies. The Journal of Chemical Physics. 158 |
Ammar A, Scemama A, Giner E. (2022) Extension of selected configuration interaction for transcorrelated methods. The Journal of Chemical Physics. 157: 134107 |
Ammar A, Giner E, Scemama A. (2022) Optimization of Large Determinant Expansions in Quantum Monte Carlo. Journal of Chemical Theory and Computation |
Dobrautz W, Cohen AJ, Alavi A, et al. (2022) Performance of a one-parameter correlation factor for transcorrelation: Study on a series of second row atomic and molecular systems. The Journal of Chemical Physics. 156: 234108 |
Traore D, Toulouse J, Giner E. (2022) Basis-set correction for coupled-cluster estimation of dipole moments. The Journal of Chemical Physics. 156: 174101 |
Traore D, Giner E, Toulouse J. (2022) Basis-set correction based on density-functional theory: Rigorous framework for a one-dimensional model. The Journal of Chemical Physics. 156: 044113 |
Yao Y, Giner E, Anderson TA, et al. (2021) Accurate energies of transition metal atoms, ions, and monoxides using selected configuration interaction and density-based basis-set corrections. The Journal of Chemical Physics. 155: 204104 |