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Final-state-resolved mutual neutralization in I<sup>+</sup> - I<sup>−</sup> collisions
Physical Review A, American Physical Society, 18-07-2022, 106; 1, 012812Article dans une revue scientifiquetexte intégral -
Reassessing the potential of TlCl for laser cooling experiments via four-component correlated electronic structure calculations
Pré-publication ou Document de travailtexte intégral -
Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution with relativistic quantum embedding calculations
Pré-publication ou Document de travailtexte intégral -
Caractérisation des Radioéléments par Modélisation Moléculaire
COLLOQUE MÉTALLO-MIX -- Les éléments métalliques : un trait d’union entre les sciences, Paris, 03-10-2019, 03-10-2019 -
Accurate Predictions of Volatile Plutonium Thermodynamic Properties
Inorganic Chemistry, American Chemical Society, 14-10-2019, 58, 14507-14521Compte-rendu et recension critique d'ouvragetexte intégral -
A Topological Data Analysis Perspective on Non-Covalent Interactions in Relativistic Calculations
International Journal of Quantum Chemistry, Wiley, 17-12-2019, e26133Compte-rendu et recension critique d'ouvragetexte intégral -
Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures
Journal of Chemical Theory and Computation, American Chemical Society, 23-01-2024, 20; 2, 677–694Compte-rendu et recension critique d'ouvragetexte intégral -
Frequency-Dependent Quadratic Response Properties and Two-photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory
Journal of Chemical Theory and Computation, American Chemical Society, 26-12-2023, 19; 24, 9248-9259Compte-rendu et recension critique d'ouvragetexte intégral -
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 -
The performance of approximate equation of motion coupled cluster for valence and core states of heavy element systems
Molecular Physics, Taylor & Francis, 18-08-2023Compte-rendu et recension critique d'ouvragetexte intégral