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cond-mat.str-el2026★ 1 cited
Generalized local potential functional embedding theory of localized orbitals
Wafa Makhlouf, Bruno Senjean, Emmanuel Fromager
In this work we introduce a generalized flavor, in the sense of generalized Kohn-Sham density functional theory (gKS-DFT), of the recently derived local potential functional embedd…
cond-mat.str-el2025★ 4 cited
Local Potential Functional Embedding Theory of Molecular Systems: Localized Orbital-Based Embedding from an Exact Density-Functional Perspective
W. Makhlouf, B. Senjean, E. Fromager
Localized orbital-based quantum embedding, as originally formulated in the context of density matrix embedding theory (DMET), is revisited from the perspective of lattice density f…