English

Adiabatic and local approximations for the Kohn-Sham potential in time-dependent Hubbard chains

Mesoscale and Nanoscale Physics 2021-01-15 v1 Strongly Correlated Electrons

Abstract

We obtain the exact Kohn-Sham potentials VKSV_{\mathrm{KS}} of time-dependent density-functional theory for 1D Hubbard chains, driven by a d.c.\ external field, using the time-dependent electron density and current density obtained from exact many-body time-evolution. The exact VxcV_{\mathrm{xc}} is compared to the adiabatically-exact VxcadV_{\mathrm{xc}}^{\mathrm{ad}} and the "instantaneous ground state" VxcigsV_{\mathrm{xc}}^{\mathrm{igs}}. The latter is shown to work effectively in some cases when the former fails. Approximations for the exchange-correlation potential VxcV_{\mathrm{xc}} and its gradient, based on the local density and on the local current density, are also considered and both physical quantities are observed to be far outside the reach of any possible local approximation. Insight into the respective roles of ground-state and excited-state correlation in the time-dependent system, as reflected in the potentials, is provided by the pair correlation function.

Keywords

Cite

@article{arxiv.1405.0885,
  title  = {Adiabatic and local approximations for the Kohn-Sham potential in time-dependent Hubbard chains},
  author = {L. Mancini and J. D. Ramsden and M. J. P. Hodgson and R. W. Godby},
  journal= {arXiv preprint arXiv:1405.0885},
  year   = {2021}
}

Comments

7 pages, 7 Figures. Accepted for publication in Physical Review B