2 papers
cond-mat.mtrl-sci2026
Geometric Time-Dependent Density Functional Theory
Ãric Cancès, Théo Duez, Jari van Gog +3
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-…
cond-mat.mtrl-sci2026
Geometric theory of constrained Schrödinger dynamics with application to time-dependent density-functional theory on a finite lattice
Eric Cancès, Théo Duez, Jari van Gog +3
Time-dependent density-functional theory (TDDFT) is a central tool for studying the dynamical electronic structure of molecules and solids, yet aspects of its mathematical foundati…