Patrick Bultinck
Universiteit Gent
H-index: 54
Europe-Belgium
Top articles of Patrick Bultinck
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states | Molecular Physics | Xeno De Vriendt John De Vos Stijn De Baerdemacker Patrick Bultinck Guillaume Acke | 2023/5/19 |
Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model | arXiv preprint arXiv:2301.07865 | Stijn De Baerdemacker Amir Ayati Hugh GA Burton Xeno De Vriendt Patrick Bultinck | 2023/1/19 |
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 | Guillaume Acke Daria Van Hende Xeno De Vriendt Patrick Bultinck | 2023/8/2 |
Impact of conformation and intramolecular interactions on vibrational circular dichroism spectra identified with machine learning | Communications Chemistry | Tom Vermeyen Ana Cunha Patrick Bultinck Wouter Herrebout | 2023/7/12 |
Constrained iterative Hirshfeld charges: A variational approach | The Journal of Chemical Physics | Leila Pujal Maximilian Van Zyl Esteban Vöhringer-Martinez Toon Verstraelen Patrick Bultinck | 2022/5/21 |
Near-exact treatment of seniority-zero ground and excited states with a Richardson–Gaudin mean-field | The Journal of Chemical Physics | Charles-Émile Fecteau Samuel Cloutier Jean-David Moisset Jérémy Boulay Patrick Bultinck | 2022/5/21 |
Three-Dimensional Fully π-Conjugated Macrocycles: When 3D-Aromatic and When 2D-Aromatic-in-3D? | Journal of the American Chemical Society | Ouissam El Bakouri Dariusz W Szczepanik Kjell Jorner Rabia Ayub Patrick Bultinck | 2022/5/6 |
Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures | The Journal of Chemical Physics | Xeno De Vriendt Daria Van Hende Stijn De Baerdemacker Patrick Bultinck Guillaume Acke | 2022/6/28 |
Uncovering Clar's aromatic‐sextet rule in the Hubbard model using Maximum Probability Domain Partitions | Journal of Computational Chemistry | Daria Van Hende Laurent Lemmens Stijn De Baerdemacker Dimitri Van Neck Patrick Bultinck | 2022/3/15 |
Chemical response functions in (Quasi‐) Degenerate states | Conceptual Density Functional Theory: Towards a New Chemical Reactivity Theory | Patrick Bultinck Carlos Cárdenas | 2022/6/7 |
Analyzing the behavior of spin phases in external magnetic fields by means of spin-constrained states | Journal of Chemical Theory and Computation | Laurent Lemmens Xeno De Vriendt Patrick Bultinck Guillaume Acke | 2022/5/25 |
Quantifying Delocalization and Static Correlation Errors by Imposing (Spin) Population Redistributions through Constraints on Atomic Domains | Journal of Chemical Theory and Computation | Xeno De Vriendt Laurent Lemmens Stijn De Baerdemacker Patrick Bultinck Guillaume Acke | 2021/10/1 |
GQCP: The Ghent quantum chemistry package | The Journal of Chemical Physics | Laurent Lemmens Xeno De Vriendt Daria Tolstykh Tobias Huysentruyt Patrick Bultinck | 2021/8/28 |
Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism | Physical Chemistry Chemical Physics | Tom Vermeyen Jure Brence Robin Van Echelpoel Roy Aerts Guillaume Acke | 2021 |
Three-Dimensional Fully pi-Conjugated Macrocycles: When Truly 3D-Aromatic and when 2D-Aromatic-in-3D? | Henrik Ottosson Ouissam El Bakouri Dariusz Szczepanik Kjell Jorner Rabia Ayub | 2021/12/14 | |
Hierarchies of quantum chemical descriptors induced by statistical analyses of domain occupation number operators | Guillaume Acke Stijn De Baerdemacker Angel Martin Pendas Patrick Bultinck | 2020/7 | |
CFA-18: A homochiral metal–organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules | Dalton Transactions | Katharina Knippen Björn Bredenkötter Lisa Kanschat Maryana Kraft Tom Vermeyen | 2020 |
A combined Raman optical activity and vibrational circular dichroism study on artemisinin-type products | Physical Chemistry Chemical Physics | Jonathan Bogaerts Filip Desmet Roy Aerts Patrick Bultinck Wouter Herrebout | 2020 |
Richardson–Gaudin mean-field for strong correlation in quantum chemistry | The Journal of Chemical Physics | Paul A Johnson Charles-Émile Fecteau Frédéric Berthiaume Samuel Cloutier Laurie Carrier | 2020/9/14 |
Richardson-Gaudin mean-field for strong correlation in quantum chemistry Paul A. Johnson, Charles-Émile Fecteau, Frédéric Berthiaume, Samuel Cloutier, Laurie Carrier, and … | arXiv preprint arXiv:2007.10705 | Patrick Bultinck Stijn De Baerdemacker Dimitri Van Neck Peter Limacher Paul W Ayers | 2020/7 |
Co-Authors
