GQCP: The Ghent Quantum Chemistry Package L Lemmens, X De Vriendt, VH Daria, T Huysentruyt, P Bultinck, G Acke The Journal of Chemical Physics 155 (8), 084802, 2021 | 17 | 2021 |
Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures X De Vriendt, D Van Hende, S De Baerdemacker, P Bultinck, G Acke The Journal of Chemical Physics 156 (24), 2022 | 6 | 2022 |
Uncovering Clar's aromatic‐sextet rule in the Hubbard model using Maximum Probability Domain Partitions D Van Hende, L Lemmens, S De Baerdemacker, D Van Neck, P Bultinck, ... Journal of Computational Chemistry 43 (7), 457-464, 2022 | 6 | 2022 |
Extending Conceptual Density Functional Theory toward First-Order Reduced Density Matrices: An Open Subsystems Viewpoint on the Fukui Matrix G Acke, D Van Hende, X De Vriendt, P Bultinck Journal of Chemical Theory and Computation 19 (16), 5418-5426, 2023 | 2 | 2023 |
Quantum Information Patterns Between Atoms in a Molecule D Van Hende, R Van der Stichelen, P Bultinck, G Acke Chemistry–A European Journal 30 (60), e202400819, 2024 | 1 | 2024 |
Can the electron density be interpreted information-theoretically? A critical analysis using quantum information theory G Acke, D Van Hende, R Van der Stichelen, P Bultinck arXiv preprint arXiv:2410.08929, 2024 | | 2024 |