3 papers
cond-mat.str-el2026
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
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…
quant-ph2025
Ab Initio Polaritonic Chemistry on Diverse Quantum Computing Platforms: Qubit, Qudit, and Hybrid Qubit-Qumode Architectures
Even Chiari, Wafa Makhlouf, Lucie Pepe +5
Trying to export ab initio polaritonic chemistry onto emerging quantum computers raises fundamental questions. A central one is how to efficiently represent both fermionic and boso…