dorsal/arxiv
View SchemaGeometric Time-Dependent Density Functional Theory
| Authors | Éric Cancès, Théo Duez, Jari van Gog, Asbjørn Bækgaard Lauritsen, Mathieu Lewin, Julien Toulouse |
|---|---|
| Categories | |
| ArXiv ID | 2601.07724vv1 |
| URL | https://arxiv.org/abs/2601.07724 |
| License | http://arxiv.org/licenses/nonexclusive-distrib/1.0/ |
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 universal density-to-current functional map. In the corresponding Kohn--Sham equation, the density is reproduced using a non-local operator. Numerical simulations for one-dimensional soft-Coulomb systems are provided.
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"date_created": "2026-02-17T05:53:12.527000Z",
"date_modified": "2026-02-17T05:53:12.527000Z",
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"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 universal density-to-current functional map. In the corresponding Kohn--Sham equation, the density is reproduced using a non-local operator. Numerical simulations for one-dimensional soft-Coulomb systems are provided.",
"arxiv_id": "2601.07724",
"authors": [
"\u00c9ric Canc\u00e8s",
"Th\u00e9o Duez",
"Jari van Gog",
"Asbj\u00f8rn B\u00e6kgaard Lauritsen",
"Mathieu Lewin",
"Julien Toulouse"
],
"categories": [
"cond-mat.mtrl-sci",
"math-ph",
"math.MP",
"physics.chem-ph"
],
"license": "http://arxiv.org/licenses/nonexclusive-distrib/1.0/",
"title": "Geometric Time-Dependent Density Functional Theory",
"url": "https://arxiv.org/abs/2601.07724",
"version": "v1"
},
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"execution_id": "a1085070-caf0-4e51-930b-73e0b6d8cc6b",
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