Patrick Bultinck

Vermeyen, Tom, et al. “Impact of Conformation and Intramolecular Interactions on Vibrational Circular Dichroism Spectra Identified with Machine Learning.” COMMUNICATIONS CHEMISTRY, vol. 6, no. 1, 2023, doi:10.1038/s42004-023-00944-z.

De Vriendt, Xeno, et al. “Capturing Correlation in the Spin Frustrated H3-Ring Using the Generator Coordinate Method and Spin-Constrained Generalised Hartree-Fock States.” MOLECULAR PHYSICS, vol. 121, no. 9–10, 2023, doi:10.1080/00268976.2022.2134831.

De Baerdemacker, Stijn, et al. Spin-Constrained Hartree-Fock and the Generator Coordinate Method for  the 2-Site Hubbard Model. Vol. 88, 2023, pp. 161–82, doi:10.1016/bs.aiq.2023.03.014.

Acke, Guillaume, et al. “Extending Conceptual Density Functional Theory toward First-Order Reduced Density Matrices : An Open Subsystems Viewpoint on the Fukui Matrix.” JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 19, no. 16, 2023, pp. 5418–26, doi:10.1021/acs.jctc.3c00080.

Fecteau, Charles-Émile, et al. “Near-Exact Treatment of Seniority-Zero Ground and Excited States with a Richardson-Gaudin Mean-Field.” JOURNAL OF CHEMICAL PHYSICS, vol. 156, no. 19, 2022, doi:10.1063/5.0091338.