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Geometric Time-Dependent Density Functional Theory.

Created on 11 Jul 2026

Authors

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

Published in

Physical review letters. Volume 136. Issue 25. Pages 256401. Jun 26, 2026.

Abstract

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 nonlocal operator. Finally, we present numerical simulations for one-dimensional soft-Coulomb systems.

PMID:
42430637
Bibliographic data and abstract were imported from PubMed on 11 Jul 2026.

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