English

Time-dependent V-representability on lattice systems

Mesoscale and Nanoscale Physics 2009-11-13 v1

Abstract

We study the mapping between time-dependent densities and potentials for noninteracting electronic systems on lattices. As discovered recently by Baer [J. Chem. Phys. 128, 044103 (2008)], there exist well-behaved time-dependent density functions on lattices which cannot be associated with any real time-dependent potential. This breakdown of time-dependent V-representability can be tracked down to problems with the continuity equation which arise from discretization of the kinetic-energy operator. Examples are given for lattices with two points and with N points, and implications for practical numerical applications of time-dependent density-functional theory are discussed. In the continuum limit, time-dependent noninteracting V-representability is restored.

Keywords

Cite

@article{arxiv.0804.3114,
  title  = {Time-dependent V-representability on lattice systems},
  author = {Yonghui Li and C. A. Ullrich},
  journal= {arXiv preprint arXiv:0804.3114},
  year   = {2009}
}

Comments

8 pages, 4 figures

R2 v1 2026-06-21T10:32:43.855Z