4.8 Article

First principles molecular dynamics of dense plasmas

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PHYSICAL REVIEW LETTERS
卷 86, 期 26, 页码 5958-5961

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AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.86.5958

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Ab initio molecular dynamics calculations are performed for the equation of state of aluminum, spanning condensed matter and dense plasma regimes. Electronic exchange and correlation are included with either a zero- or finite-temperature local density approximation potential. Standard methods are extended to. above the Fermi temperature by using final state pseudopotentials to describe thermally excited ion. cores. The predicted Hugoniot equation of state agrees well with earlier plasma theories and with experiment for temperatures from 0 to 3 X 10(6) K.

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