| The DIRAC code for relativistic molecular calculations T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ... The Journal of chemical physics 152 (20), 2020 | 257 | 2020 |
| Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac–Coulomb (− Gaunt) Hamiltonian L Halbert, ML Vidal, A Shee, S Coriani, A Severo Pereira Gomes Journal of Chemical Theory and Computation 17 (6), 3583-3598, 2021 | 35 | 2021 |
| Implementation of relativistic coupled cluster theory for massively parallel GPU-accelerated computing architectures JV Pototschnig, A Papadopoulos, DI Lyakh, M Repisky, L Halbert, ... Journal of chemical theory and computation 17 (9), 5509-5529, 2021 | 20 | 2021 |
| DIRAC, a relativistic ab initio electronic structure program, release DIRAC19 ASP Gomes, T Saue, L Visscher, HJA Jensen, R Bast, IA Aucar, V Bakken, ... Zenodo. https://doi. org/10.5281/zenodo 3572669, 2019 | 19 | 2019 |
| Investigating solvent effects on the magnetic properties of molybdate ions () with relativistic embedding L Halbert, M Olejniczak, V Vallet, A Severo Pereira Gomes International Journal of Quantum Chemistry 120 (21), e26207, 2020 | 11* | 2020 |
| Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-accelerated Computer Architectures X Yuan, L Halbert, JV Pototschnig, A Papadopoulos, S Coriani, L Visscher, ... Journal of Chemical Theory and Computation 20 (2), 677-694, 2024 | 5 | 2024 |
| Frequency-Dependent Quadratic Response Properties and Two-photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory X Yuan, L Halbert, L Visscher, AS Pereira Gomes Journal of chemical theory and computation 19 (24), 9248-9259, 2023 | 1 | 2023 |
| DIRAC19 ASP Gomes, T Saue, L Visscher, HJ Jensen, R Bast, IA Aucar, V Bakken, ... Zenodo, 0 | 1 | |
| The performance of approximate equation of motion coupled cluster for valence and core states of heavy element systems L Halbert, ASP Gomes Molecular Physics, e2246592, 2023 | | 2023 |
| La méthode Equation of Motion Coupled Cluster pour la modélisation des états excités et propriétés des molécules contenant des éléments lourds L Halbert Université de Lille, 2021 | | 2021 |
| Cover Image, Volume 120, Issue 21 L Halbert, M Olejniczak, V Vallet, ASP Gomes International Journal of Quantum Chemistry 120 (21), 2020 | | 2020 |
