Research Explorer

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Researcher

Laurent Lemmens

Awards & Distinctions

5 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

Design, implementation and application of a semantic computational toolbox for novel electronic structure method development

Laurent LemmensPatrick BultinckGuillaume Acke

Uncovering Clar's aromatic pi-sextet rule in the Hubbard model using Maximum Probability Domain Partitions

Daria Van HendeLaurent LemmensStijn De BaerdemackerDimitri Van NeckPatrick BultinckGuillaume Acke

A1 Journal Article in JOURNAL OF COMPUTATIONAL CHEMISTRY

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