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Project

Extending geminal-based electronic structure methods towards higher accuracy and applicability.

Information

Project Team

Organisations

Outputs and Outcomes

Publications

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

2022

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

2022

GQCP : the Ghent quantum chemistry package

Laurent LemmensXeno De VriendtDaria Van HendeTobias HuysentruytPatrick BultinckGuillaume Acke

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

2021