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Extending Conceptual Density Functional Theory toward First-Order Reduced Density Matrices: An Open Subsystems Viewpoint on the Fukui Matrix.
J Chem Theory Comput. 2023 Aug 22;19(16):5418-5426. doi: 10.1021/acs.jctc.3c00080. Epub 2023 Aug 2.
J Chem Theory Comput. 2023.
PMID: 37531218
Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures.
De Vriendt X, Van Hende D, De Baerdemacker S, Bultinck P, Acke G.
De Vriendt X, et al. Among authors: van hende d.
J Chem Phys. 2022 Jun 28;156(24):244115. doi: 10.1063/5.0092153.
J Chem Phys. 2022.
PMID: 35778100
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