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Research PaperResearchia:202601.12b3e892

Geometric Time-Dependent Density Functional Theory

Éric Cancès

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.

Submitted: January 12, 2026Subjects: Materials Science; Materials Science

Description / Details

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:
Jan 12, 2026
Topic:
Materials Science
Area:
Materials Science
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