Journal
PHYSICAL REVIEW E
Volume 104, Issue 4, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.104.045204
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Funding
- North German Supercomputing Alliance (HLRN)
- ITMZ of the University of Rostock
- DFG
- European Horizon 2020 program within the Marie Sklodowska-Curie actions (xICE) [894725]
- Marie Curie Actions (MSCA) [894725] Funding Source: Marie Curie Actions (MSCA)
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The low-density limit of the electrical conductivity of hydrogen as the simplest ionic plasma is presented as a function of temperature and mass density in the form of a virial expansion of the resistivity. Quantum statistical methods yield exact values for the lowest virial coefficients, serving as a benchmark for analytical approaches and numerical results obtained from simulations.
The low-density limit of the electrical conductivity sigma(n, T ) of hydrogen as the simplest ionic plasma is presented as a function of the temperature T and mass density n in the form of a virial expansion of the resistivity. Quantum statistical methods yield exact values for the lowest virial coefficients which serve as a benchmark for analytical approaches to the electrical conductivity as well as for numerical results obtained from density functional theory-based molecular dynamics simulations (DFT-MD) or path-integral Monte Carlo simulations. While these simulations are well suited to calculate sigma(n, T) in a wide range of density and temperature, in particular, for the warm dense matter region, they become computationally expensive in the low-density limit, and virial expansions can be utilized to balance this drawback. We present new results of DFT-MD simulations in that regime and discuss the account of electron-electron collisions by comparison with the virial expansion.
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