Geometric Time-Dependent Density Functional Theory
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.
Fields of Study & Subjects
Advanced Chemical Physics Studies
Numerical methods for differential equations
Advanced Numerical Methods in Computational Mathematics
Publication details
- Journal / source
- arXiv (Cornell University)
- Publication date
- 12 January 2026
- Document type
- Preprint