Research Explorer

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Researcher

Xeno De Vriendt

Awards & Distinctions

8 Results

2024

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

Xeno De VriendtPatrick BultinckGuillaume Acke

2023

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

Xeno De VriendtJohn De VosStijn De BaerdemackerPatrick BultinckGuillaume Acke

A2 Journal Article in MOLECULAR PHYSICS

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

Guillaume AckeDaria Van HendeXeno De VriendtPatrick Bultinck

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

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

Stijn De BaerdemackerAmir AyatiHugh G. A. BurtonXeno De VriendtPatrick BultinckGuillaume Acke

2022

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

Laurent LemmensXeno De VriendtPatrick BultinckGuillaume Acke

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

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

Xeno De VriendtDaria Van HendeStijn De BaerdemackerPatrick BultinckGuillaume Acke

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

2021

GQCP : the Ghent quantum chemistry package

Laurent LemmensXeno De VriendtDaria Van HendeTobias HuysentruytPatrick BultinckGuillaume Acke

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

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

Xeno De VriendtLaurent LemmensStijn De BaerdemackerPatrick BultinckGuillaume Acke

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION