Search
Now showing items 1-10 of 11
-
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'ouvragefulltext -
Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations
Webinar...a way to REHE2022, Online, 25-11-2021, 25-11-2021 -
Electronic structure of actinide systems from relativistic correlated and quantum embedding approaches
Topical meeting on Condensed-Matter Chemistry on Actinides: The Kumatori meeting 2021, Kyoto, 10-02-2021, 10-02-2021 -
Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure
GDR NBODY GENERAL MEETING 2022, Toulouse, 10-01-2022, 10-01-2022 -
Assessing MP2 frozen natural orbitals for relativistic electronic structure
Workshop of the GDR quantum gases, Lille, 24-10-2022, 24-10-2022Autre communication scientifique (congrès sans actes - poster - séminaire...) -
The DIRAC code for relativistic molecular calculations
The Journal of Chemical Physics, American Institute of Physics, 26-05-2020, 152, 204104Compte-rendu et recension critique d'ouvragefulltext -
Assessing MP2 frozen natural orbitals in relativistic correlated electronic structure calculations
The Journal of Chemical Physics, American Institute of Physics, 09-06-2022, 156, 224108Compte-rendu et recension critique d'ouvragefulltext -
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'ouvragefulltext -
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'ouvragefulltext -
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'ouvragefulltext