Physical Review B · 2005 · 80 citations · 17 references
Absolute measurements of the pressure and the electrical conductivity of expanded copper in the warm dense matter regime ($\ensuremath{\rho}=0.5--0.3\phantom{\rule{0.3em}{0ex}}\mathrm{g}∕{\mathrm{cm}}^{3}$ and $6000\phantom{\rule{0.3em}{0ex}}\mathrm{K}<T<30\phantom{\rule{0.2em}{0ex}}000\phantom{\rule{0.3em}{0ex}}\mathrm{K}$) are obtained in an isochoric plasma closed-vessel (EPI). Quantum molecular dynamics simulations are found to be in excellent agreement with the experimental results, allowing for a detailed interpretation of the optical conductivities. A shift in energy of the $4s\ensuremath{\rightarrow}4p$ atomic line is explained by the rise of ionization with temperature.
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 87.4K citations
<i>Ab initio</i>molecular dynamics for liquid metals
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