Geometric Time-Dependent Density Functional Theory

descriptionPublicationkeyboard_double_arrow_right Article , Preprint 24 Jun 2026Embargo end date: 01 Jan 2026 France English Publisher:American Physical Society (APS)Journal:Physical Review Letters, volume 136 (issn: 0031-9007, eissn: 1079-7114,

Copyright policy )Funded by:ANR | (RI)²

Authors: Éric Cancès; Théo Duez; Jari van Gog; Asbjørn Bækgaard Lauritsen; Mathieu Lewin; Julien Toulouse;

doi: 10.1103/xtjx-r2lm , 10.48550/arxiv.2601.07724

arXiv: 2601.07724

Geometric Time-Dependent Density Functional Theory

- Summary
- Subjects
- Metrics

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.

To appear in Phys. Rev. Lett

Country

France

Related Organizations

View all View all

Keywords

Chemical Physics (physics.chem-ph), [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, Chemical Physics, Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Mathematical Physics (math-ph), [MATH.MATH-MP] Mathematics [math]/Mathematical Physics [math-ph], [PHYS.COND] Physics [physics]/Condensed Matter [cond-mat], Mathematical Physics

Impact byBIP!

	selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	2
	popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.	Top 10%
	influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).	Top 10%
	impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.	Average