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Variational average-atom model of electron-ion plasma with correlations and quantum bound electrons

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 Added by Robin Piron
 Publication date 2019
  fields Physics
and research's language is English




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In the present paper, we propose a variational average-atom model of electron-ion plasma performing a quantum treatment of bound electrons and accounting for correlations (VAAQBEC). This model addresses the correlation functions in a weakly-coupled plasma, while also accounting self-consistently for the ion average shell structure. This is done at the price of treating the free electrons classically, whereas bound electrons are treated quantum-mechanically. When ions are approximated by point-like particles, the present approach yields the usual Debye-H{u}ckel corrections to the orbital energies and chemical potential. If one disregards the interactions of continuum electrons, the present approach yields ion-ion correlation corrections through a self-consistent one-component-classical-plasma contribution. Comparisons are presented with the broadly-used continuum-lowering approach of Stewart and Pyatt and with the dense-plasma average-atom models INFERNO and VAAQP, on warm silicon and hot iron cases.



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The work on a new fully variational model of average-atom in quantum plasmas using a numerical code called VAAQP is reported. A brief description of the code is given. Application to aluminium at solid density and temperatures between 0.05 and 12 eV is presented. Comparisons to results obtained using other approaches are also shown and discussed. The results prove the feasibility of the variational model in the warm dense matter regime. Effects of the variational treatment can lead in this region to significant differences with respect to existing models.
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