Geometric Time-Dependent Density Functional Theory
Materials Science
2026-05-07 v3 Mathematical Physics
math.MP
Chemical Physics
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 non-local operator. Finally, we present numerical simulations for one-dimensional soft-Coulomb systems.
Cite
@article{arxiv.2601.07724,
title = {Geometric Time-Dependent Density Functional Theory},
author = {Éric Cancès and Théo Duez and Jari van Gog and Asbjørn Bækgaard Lauritsen and Mathieu Lewin and Julien Toulouse},
journal= {arXiv preprint arXiv:2601.07724},
year = {2026}
}
Comments
To appear in Phys. Rev. Lett