Exact time-dependent density-functional potentials for strongly correlated tunneling electrons

2013/12/02 by Matthew J. P. Hodgson, M. J. P. Hodgson, James D. Ramsden +5 · 10 citations
Engineering · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Condensed matter physics #Coulomb #Density functional theory #Electron #Mathematical analysis #Mathematics #Maxima and minima #Molecular Junctions and Nanostructures #Physics #Quantum and electron transport phenomena #Quantum mechanics #Quantum tunnelling #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.88.241102

published as Phys. Rev. B 88, 241102(R) (2013) · 5 figures

openalex publication_date 2013/12/02 · arxiv created 2013/12/09 · arxiv updated 2021/01/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

By propagating the many-body Schr"odinger equation, we determine the exact time-dependent Kohn-Sham potential for a system of strongly correlated electrons which undergo field-induced tunneling. Numerous features are entirely absent from the approximations commonly used in time-dependent density-functional theory. The self-interaction correction is strong and time dependent, owing to electron localization, and prominent dynamic spatial potential steps arise from minima in the charge density, as modified by the Coulomb interaction experienced by the partially tunneled electron.

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