Ghent University Academic Bibliography

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Spin-generator coordinate method for electronic structure

Amir Ayati, Hugh G. A. Burton, Patrick Bultinck (UGent) and Stijn De Baerdemacker

(2025) JOURNAL OF CHEMICAL PHYSICS. 163(4).
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Singlet geminal wavefunctions

Paul A. Johnson, Jean-David Moisset, Marianne Gratton, Émile Baril, Marc-Antoine Plourde, Mathis Lefebvre, Marianne Kerleaux, Paul W. Ayers, Patrick Cassam-Chenaï, Stijn De Baerdemacker, et al.

(2025) THEORETICAL CHEMISTRY ACCOUNTS. 144(1).
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Geminal theory within the seniority formalism and bi-variational principle

Stijn De Baerdemacker and Dimitri Van Neck (UGent)

(2024) Novel treatments of strong correlations. In Advances in Quantum Chemistry 90. p.185-218
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Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states

Xeno De Vriendt, John De Vos (UGent) , Stijn De Baerdemacker (UGent) , Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2023) MOLECULAR PHYSICS. 121(9-10).
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Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model

Stijn De Baerdemacker, Amir Ayati, Hugh G. A. Burton, Xeno De Vriendt, Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2023) In Advances in Quantum Chemistry 88. p.161-182
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Conjectured DXZ decompositions of a unitary matrix

Alexis De Vos (UGent) , Martin Idel and Stijn De Baerdemacker

(2022) LINEAR ALGEBRA AND ITS APPLICATIONS. 652. p.196-212
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Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures

Xeno De Vriendt, Daria Van Hende (UGent) , Stijn De Baerdemacker (UGent) , Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2022) JOURNAL OF CHEMICAL PHYSICS. 156(24).
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Bivariational principle for an antisymmetrized product of nonorthogonal geminals appropriate for strong electron correlation

Paul A. Johnson, Paul W. Ayers, Stijn De Baerdemacker, Peter A. Limacher and Dimitri Van Neck (UGent)

(2022) COMPUTATIONAL AND THEORETICAL CHEMISTRY. 1212.
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Uncovering Clar's aromatic pi-sextet rule in the Hubbard model using Maximum Probability Domain Partitions

Daria Van Hende (UGent) , Laurent Lemmens, Stijn De Baerdemacker (UGent) , Dimitri Van Neck (UGent) , Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2022) JOURNAL OF COMPUTATIONAL CHEMISTRY. 43(7). p.457-464
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Quantifying delocalization and static correlation errors by imposing (spin)population redistributions through constraints on atomic domains

Xeno De Vriendt, Laurent Lemmens, Stijn De Baerdemacker (UGent) , Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2021) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 17(11). p.6808-6818

Academic Bibliography

Spin-generator coordinate method for electronic structure

Singlet geminal wavefunctions

Geminal theory within the seniority formalism and bi-variational principle

Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states

Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model

Conjectured DXZ decompositions of a unitary matrix

Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures

Bivariational principle for an antisymmetrized product of nonorthogonal geminals appropriate for strong electron correlation

Uncovering Clar's aromatic pi-sextet rule in the Hubbard model using Maximum Probability Domain Partitions

Quantifying delocalization and static correlation errors by imposing (spin)population redistributions through constraints on atomic domains

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