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Researcher
Xeno De Vriendt
Profile
Projects
Publications
Activities
4
Results
2022
Analyzing the behavior of spin phases in external magnetic fields by means of spin-constrained states
Laurent Lemmens
Xeno De Vriendt
Patrick Bultinck
Guillaume Acke
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2022
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
Stijn De Baerdemacker
Patrick Bultinck
A1
Journal Article
in
MOLECULAR PHYSICS
2022
2021
GQCP : the Ghent quantum chemistry package
Laurent Lemmens
Xeno De Vriendt
Daria Van Hende
Tobias Huysentruyt
Patrick Bultinck
Guillaume Acke
A1
Journal Article
in
JOURNAL OF CHEMICAL PHYSICS
2021
Quantifying delocalization and static correlation errors by imposing (spin)population redistributions through constraints on atomic domains
Xeno De Vriendt
Laurent Lemmens
Stijn De Baerdemacker
Patrick Bultinck
Guillaume Acke
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2021