Ghent University Academic Bibliography

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- PhD Thesis
Breaking the symmetry dilemma : quantum chemical generator coordinates for novel method development

Xeno De Vriendt (UGent)

(2024)
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- Journal Article
- A2
- open access
Capturing correlation in the spin frustrated H3-ring using the generator coordinate method and spin-constrained generalised Hartree-Fock states

Xeno De Vriendt (UGent) , 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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- Book Chapter
- open access
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 (UGent) , Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2023) In Advances in Quantum Chemistry 88. p.161-182
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- Journal Article
- A1
- open access
Extending conceptual density functional theory toward first-order reduced density matrices : an open subsystems viewpoint on the Fukui matrix

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

(2023) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 19(16). p.5418-5426
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- Journal Article
- A1
- open access
Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures

Xeno De Vriendt (UGent) , 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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- Journal Article
- A1
- open access
Analyzing the behavior of spin phases in external magnetic fields by means of spin-constrained states

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

(2022) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 18(6). p.3364-3376
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Quantifying delocalization and static correlation errors by imposing (spin)population redistributions through constraints on atomic domains

Xeno De Vriendt (UGent) , 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
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- Journal Article
- A1
- open access
GQCP : the Ghent quantum chemistry package

Laurent Lemmens, Xeno De Vriendt (UGent) , Daria Van Hende (UGent) , Tobias Huysentruyt, Patrick Bultinck (UGent) and Guillaume Acke (UGent)

(2021) JOURNAL OF CHEMICAL PHYSICS. 155(8).

Academic Bibliography

Breaking the symmetry dilemma : quantum chemical generator coordinates for novel method development

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

Extending conceptual density functional theory toward first-order reduced density matrices : an open subsystems viewpoint on the Fukui matrix

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

Analyzing the behavior of spin phases in external magnetic fields by means of spin-constrained states

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

GQCP : the Ghent quantum chemistry package

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