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We have performed all-electron path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore properties of first- and second-row materials in the liquid, warm dense matter, and plasma regimes. Our simulations have covered a wide density-temperature range of roughly 1–15 g cm−3 and 104–109 K). We first analyze the ionization behavior of carbon and...
High energy density physics and astrophysics require reliable methods for determining the equation of state of warm dense matter. At high temperatures (above 106 K or 100 eV), path integral Monte Carlo (PIMC) as a first-principles method is a useful option because of its accuracy and efficiency. Previous developments in PIMC implemented free-particle nodes to study plasmas comprised of heavy (Z ≤...
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