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0000-0003-2766-2672
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- 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
- A1
- open access
Impact of conformation and intramolecular interactions on vibrational circular dichroism spectra identified with machine learning
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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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Chemical response functions in (quasi-)degenerate 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
Constrained iterative Hirshfeld charges : a variational approach
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- Journal Article
- A1
- open access
Near-exact treatment of seniority-zero ground and excited states with a Richardson-Gaudin mean-field
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- Journal Article
- A1
- open access
Three-dimensional fully pi-conjugated macrocycles : when 3D-aromatic and when 2D-aromatic-in-3D?
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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