Geometric Time-Dependent Density Functional Theory

Physical Review Letters 2026 Open access

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Authors: Éric Cancès, Théo Duez, Jari van Gog, Asbjørn Bækgaard Lauritsen, Mathieu Lewin, Julien Toulouse
DOI: 10.1103/xtjx-r2lm
Cited by: 1
References: 42

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.

Fields of Study & Subjects

Advanced Physical and Chemical Molecular Interactions Advanced Chemical Physics Studies Magnetism in coordination complexes

Publication details

Journal / source
Physical Review Letters
Publisher
American Physical Society (APS)
Volume
136
Issue
25
Pages
256401–256401
Publication date
6 May 2026
Language
EN