Recherche
Résultats 1-10 de 13
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Incorporating many-body and environment effects on luminescence and core spectroscopies
GDR NBODY GENERAL MEETING 2022, Toulouse, 10-01-2022, 10-01-2022 -
Modeling environment effect on heavy-element compounds
Comprehensive Computational Chemistry, Elsevier, 2024, 3Partie d'ouvrage -
The electronic structure of actinides tailored by relativistic quantum chemistry approaches: applications to X-ray spectroscopies
European Conference on Computational and Theoretical Chemistry (CompChem 2023), Thessaloniki, 27-08-2023, 27-08-2023 -
Interoperable Workflows by Exchanging Grid-Based Data between Quantum-Chemical Program Packages
31-01-2024Pré-publication ou Document de travailtexte intégral -
Solvation effects on halides core spectra with Multilevel Real-Time quantum embedding
25-01-2024Pré-publication ou Document de travailtexte intégral -
Environment effects on X-ray absorption spectra with quantum embedded real-time Time-dependent density functional theory approaches
Frontiers in Chemistry, Frontiers Media, 28-02-2022Compte-rendu et recension critique d'ouvragetexte intégral -
Environmental Effects with Frozen-Density Embedding in the Real-Time Time-Dependent Dirac-Kohn-Sham framework
REHE – 2020/2022 13th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics, Assisi, 26-09-2022, 26-09-2022Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Relativistic correlated electronic structure and the calculation of accurate ground-state, core and valence properties of heavy element species
ATAS-AnXAS, Grenoble, 17-10-2022, 31-08-2022 -
Relativistic correlated electronic structure and the calculation of accurate ground-state, core and valence properties of heavy element species
REHE – 2020/2022 13th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics, Assisi, 26-09-2022, 26-09-2022 -
Environmental Effects with Frozen-Density Embedding in the Real-Time Time-Dependent Dirac-Kohn-Sham framework
Workshop of the GDR quantum gases, Lille, 24-10-2022, 24-10-2022Autre communication scientifique (congrès sans actes - poster - séminaire...)