Loïc Halbert

Loïc Halbert

Université de Lille - Lille / France
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 5984964
University of Lille
person_outline Loïc Halbert's MOST POPULAR ARTICLES
1-) The DIRAC code for relativistic molecular calculationsT Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ...The Journal of chemical physics 152 (20), 20202852020
2-) Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac–Coulomb (− Gaunt) HamiltonianL Halbert, ML Vidal, A Shee, S Coriani, A Severo Pereira GomesJournal of Chemical Theory and Computation 17 (6), 3583-3598, 2021432021
3-) Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architecturesJV Pototschnig, A Papadopoulos, DI Lyakh, M Repisky, L Halbert, ...Journal of chemical theory and computation 17 (9), 5509-5529, 2021222021
4-) DIRAC, a relativistic ab initio electronic structure program, release DIRAC19ASP Gomes, T Saue, L Visscher, HJA Jensen, R Bast, IA Aucar, V Bakken, ...Zenodo. https://doi. org/10.5281/zenodo 3572669, 2019202019
5-) Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer ArchitecturesX Yuan, L Halbert, JV Pototschnig, A Papadopoulos, S Coriani, L Visscher, ...Journal of Chemical Theory and Computation 20 (2), 677-694, 2024