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2026-01-12 16:55 UTC · cond-mat.mtrl-sci · cond-mat.mtrl-sci, math-ph, physics.chem-ph

Geometric Time-Dependent Density Functional Theory

Éric Cancès, Théo Duez, Jari van Gog, Asbjørn Bækgaard Lauritsen, Mathieu Lewin, Julien Toulouse

We provide a new formulation of Time-Dependent Density Functional Theory (TDDFT) based on the geometric structure of the set of states constrained to have a fixed density. Orbital-free TDDFT is formulated using a hydrodynamics equation involving a new density-to-current functional map. In the corresponding Kohn--Sham equation, the density is reproduced using a non-local operator. Finally, we present numerical simulations for one-dimensional soft-Coulomb systems.
arXiv abstractPDF

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