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1

Extending Conceptual Density Functional Theory toward First..:

Acke, Guillaume ; Van Hende, Daria ; De Vriendt, Xeno.
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

2

Uncovering phase transitions that underpin the flat-planes ..:

De Vriendt, Xeno ; Van Hende, Daria ; De Baerdemacker, Stijn..
The Journal of Chemical Physics. 156 (2022) 24 - p. , 2022

Link: https://doi.org/10.1063/..

3

Capturing correlation in the spin frustrated H3-ring using ..:

De Vriendt, Xeno ; De Vos, John ; De Baerdemacker, Stijn..
Molecular Physics. 121 (2022) 9-10 - p. , 2022

Link: https://doi.org/10.1080/..

4

Analyzing the Behavior of Spin Phases in External Magnetic ..:

Lemmens, Laurent ; De Vriendt, Xeno ; Bultinck, Patrick.
Journal of Chemical Theory and Computation. 18 (2022) 6 - p. 3364-3376 , 2022

Link: https://doi.org/10.1021/..

5

GQCP: The Ghent Quantum Chemistry Package:

Lemmens, Laurent ; De Vriendt, Xeno ; Van Hende, Daria...
The Journal of Chemical Physics. 155 (2021) 8 - p. , 2021

Link: https://doi.org/10.1063/..

6

Quantifying Delocalization and Static Correlation Errors by..:

De Vriendt, Xeno ; Lemmens, Laurent ; De Baerdemacker, Stijn..
Journal of Chemical Theory and Computation. 17 (2021) 11 - p. 6808-6818 , 2021

Link: https://doi.org/10.1021/..

7

Spin-constrained Hartree-Fock and the generator coordinate ..:

De Baerdemacker, Stijn ; Ayati, Amir ; Burton, Hugh G. A...
http://arxiv.org/abs/2301.07865. , 2023

Link: http://arxiv.org/abs/230..

8

Quantifying Delocalization and Static Correlation Errors by..:

Xeno De Vriendt (11513626) ; Laurent Lemmens (11513629) ; Stijn De Baerdemacker (11513632)..
https://figshare.com/articles/journal_contribution/Quantifying_Delocalization_and_Static_Correlation_Errors_by_Imposing_Spin_Population_Redistributions_through_Constraints_on_Atomic_Domains/16725367. , 1753

Link: https://doi.org/10.1021/..

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