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Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations
Pré-publication ou Document de travailtexte intégral -
X-ray Absorption Spectra and Photoionization of Actinide Compounds with Relativistic Electronic Structure Approaches
ATAS-AnXAS, Grenoble, 17-10-2022, 31-08-2022Autre communication scientifique (congrès sans actes - poster - séminaire...) -
Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures
Journal of Chemical Theory and Computation, American Chemical Society, 09-08-2021, 17, 5509--5529Compte-rendu et recension critique d'ouvragetexte intégral -
Electronic Spectra of Ytterbium Fluoride from Relativistic Electronic Structure Calculations
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 01-10-2021, 23, 22330-22343Compte-rendu et recension critique d'ouvragetexte intégral -
Incorporating many-body and environment effects on luminescence and core spectroscopies
GDR NBODY GENERAL MEETING 2022, Toulouse, 10-01-2022, 10-01-2022 -
Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations
Journal of Chemical Physics, American Institute of Physics, 19-08-2022, 157, 074313Compte-rendu et recension critique d'ouvragetexte intégral -
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 -
Core Excitations of Uranyl in Cs<sub>2</sub>UO<sub>2</sub>Cl<sub>4</sub> from Relativistic Embedded Damped Response Time-Dependent Density Functional Theory Calculations
INORGANIC CHEMISTRY, American Chemical Society, 11-07-2023, 62, 11589-11601Compte-rendu et recension critique d'ouvragetexte intégral -
Interoperable Workflows by Exchanging Grid-Based Data between Quantum-Chemical Program Packages
31-01-2024Pré-publication ou Document de travailtexte intégral