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Electronic transport coefficients from density functional theory across the plasma plane

  • Martin French
  • , Gerd Röpke
  • , Maximilian Schörner
  • , Mandy Bethkenhagen
  • , Michael P. Desjarlais
  • , Ronald Redmer
  • Universität Rostock
  • Laboratoire de Géologie de Lyon : Terre, Planètes, Environnement
  • Sandia National Laboratories, New Mexico

Research output: Contribution to journalArticlepeer-review

Abstract

We investigate the thermopower and Lorenz number of hydrogen with Kohn-Sham density functional theory (DFT) across the plasma plane toward the near-classical limit, i.e., weakly degenerate and weakly coupled states. Our results are in concordance with certain limiting values for the Lorentz plasma, a model system which only considers electron-ion scattering. Thereby, we clearly show that the widely used method of calculating transport properties via the Kubo-Greenwood (KG) formalism does not capture electron-electron scattering processes. Our discussion also addresses the inadequateness of assuming a Drude-like frequency behavior for the conductivity of nondegenerate plasmas by revisiting the relaxation time approximation within kinetic theory.

Original languageEnglish
Article number065204
JournalPhysical Review E
Volume105
Issue number6
DOIs
Publication statusPublished - 1 Jun 2022
Externally publishedYes

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