2014/05/05 by L. Mancini, Lorenzo Mancini, J. D. Ramsden +2 · 21 citations
Mathematics · Physics and Astronomy · #Adiabatic process #Adiabatic theorem #Advanced Chemical Physics Studies #Atomic physics #Cold Atom Physics and Bose-Einstein Condensates #Density functional theory #Excited state #Ground state #Hubbard model #Kohn–Sham equations #Mathematical physics #Mathematics #Physics #Quantum mechanics #Spectroscopy and Quantum Chemical Studies #State (computer science) #Time-dependent density functional theory #cond-mat.mes-hall #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.89.195114
published in Physical Review B 89(19) (American Physical Society) · 7 pages, 7 Figures. Accepted for publication in Physical Review B
arxiv created 2014/05/05 · openalex publication_date 2014/05/09 · openalex created_date 2016/06/24 · arxiv updated 2021/01/15 · openalex updated_date 2026/08/05
We obtain the exact Kohn-Sham potentials VKS of time-dependent density-functional theory for one-dimensional Hubbard chains, driven by a dc external field, using the time-dependent electron density and current density obtained from exact many-body time evolution. The exact Vxc is compared to the adiabatically exact Vxcad and the ``instantaneous ground state'' Vxcigs. The latter is shown to work effectively in some cases when the former fails. Approximations for the exchange-correlation potential Vxc 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.