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

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arxiv 1904.13289 v1 pith:GSIJPK5T submitted 2019-04-30 physics.plasm-ph

classification physics.plasm-ph
keywords electronsapproachaverage-atomboundmodelplasmaaccountingcorrections
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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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  1. Atoms in Dense Plasmas: Models, Applications, and Current Challenges

    physics.plasm-ph 2024-11 conditional novelty 3.0 of 10

    A synthesis of the author's contributions to variational average-atom modeling of dense plasmas and to non-LTE collisional-radiative modeling, with VAMPIRES as the newest model combining electronic structure with ion-...

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