科研速览 · Science Skim继续刷下去 · Keep skimming →
◆ Physical Review Letters2026-05-06· Time-dependent density functional theory

Geometric Time-Dependent Density Functional Theory

Éric Cancès, Théo Duez, Jari van Gog, Asbjørn Bækgaard Lauritsen, Mathieu Lewin, Julien Toulouse

原始摘要(英文原文)· Original 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.
读原文 · Read the paper ↗

AI 追问PRO

登录后使用 AI 追问

讨论区

登录后参与讨论

相关论文 · Related

Geometric Time-Dependent Density Functional Theory — 科研速览 Science Skim