Research Explorer

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Researcher

Xeno De Vriendt

4 Results

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

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 Bultinck

A1 Journal Article in MOLECULAR 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