Xeno De Vriendt
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Breaking the symmetry dilemma : quantum chemical generator coordinates for novel method development
(2024) -
- Book Chapter
- open access
Spin-constrained Hartree-Fock and the generator coordinate method for the 2-site Hubbard model
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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
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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
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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
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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
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Quantifying delocalization and static correlation errors by imposing (spin)population redistributions through constraints on atomic domains
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- Journal Article
- A1
- open access
GQCP : the Ghent quantum chemistry package