Geometric Time-Dependent Density Functional Theory
Fuente:
arXiv
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| Autori principali: | , , , , , |
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| Natura: | Preprint |
| Pubblicazione: |
2026
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| Soggetti: | |
| Accesso online: | |
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| _version_ | 1866910194662899712 |
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| author | Cancès, Éric Duez, Théo van Gog, Jari Lauritsen, Asbjørn Bækgaard Lewin, Mathieu Toulouse, Julien |
| author_facet | Cancès, Éric Duez, Théo van Gog, Jari Lauritsen, Asbjørn Bækgaard Lewin, Mathieu Toulouse, Julien |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2601_07724 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Geometric Time-Dependent Density Functional Theory Cancès, Éric Duez, Théo van Gog, Jari Lauritsen, Asbjørn Bækgaard Lewin, Mathieu Toulouse, Julien Materials Science Mathematical Physics Chemical Physics 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. |
| title | Geometric Time-Dependent Density Functional Theory |
| topic | Materials Science Mathematical Physics Chemical Physics |
| url | https://arxiv.org/abs/2601.07724 |