<u>Equation of State for Dense Plasmas using the Multiple Scattering Method</u>
ORAL
Abstract
Electronic structure methods for hot, dense plasmas often use density functional theory (DFT) with major additional approximations. For example, orbital-free DFT currently uses functionals that do not recover discrete core states, while average atom methods model one atom in an averaged plasma. Here we use the so-called multiple scattering method to solve the Kohn-Sham DFT equations for dense plasmas. The method is all-electron and does not use pseudo-potentials. We find that equation of state calculations result in good agreement with other state-of-the-art methods, and find that computational cost does not increase with temperature, allowing access to very high temperature, non-degenerate systems.
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Publication: Laraia et al, High Energy Density Physics, 40, 100940 (2021)
Presenters
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Charles Starrett
Los Alamos Natl Lab
Authors
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Charles Starrett
Los Alamos Natl Lab
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Michael Laraia
Los Alamos National Laboratory
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Crystal Ottoway
Los Alamos National Laboratory