A wide-range semiclassical self-consistent average atom model

نویسندگان

چکیده

The discovery of material properties at extremes, which are essential for high energy density physics development, requires the most advanced experimental facilities, theories, and computations. Nowadays, it is possible to model matter in such conditions using state-of-the-art functional theory (DFT) or path-integral Monte Carlo approaches with remarkable precision. However, fundamental computational limitations these methods impede their practical usage, while wide-range thermodynamic transport models plasma required. As a consequence, an average atom (AA) framework still relevant today has been attracting more attention lately. self-consistent field electron atomic cell usually obtained Thomas–Fermi (TF), Hartree–Fock, Kohn–Sham approaches, extensions. In this study, we present AA model, where semiclassical wave functions used bound states, free electrons approximated by TF thermodynamically consistent boundary. compared various regions temperatures pressures reference data: Saha rarefied plasma, DFT warm dense matter, shock Hugoniot data. It demonstrated that single may provide reasonable agreement established techniques low cost stable convergence field.

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ژورنال

عنوان ژورنال: Physics of Plasmas

سال: 2023

ISSN: ['1070-664X', '1527-2419', '1089-7674']

DOI: https://doi.org/10.1063/5.0130872