An Implementation of the Average Atom Model using the Thermodynamic Consistency Condition: Application to Ar

F. Lanzinia, b, c, H.O. Di Roccoa, b, d aDepartamento de Cs. Físicas y Ambientales, Fac. Cs. Exactas, Universidad Nacional del Centro de la Provincia de Buenos Aires, Pinto 399 (7000), Tandil, Argentina bConsejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Argentina cInstituto de Física de Materiales Tandil (IFIMAT), Argentina dCentro de Investigaciones en Física e Ingeniería del Centro de la Provincia de Buenos Aires (CIFICEN), Argentina

Received: March 22, 2018; in final form October 28, 2018

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We present a computational implementation of the average atom model for the calculation of matter properties under different conditions of density and temperature. Different issues related to the practical implementation, particularly those concerning the choice of an energy value acting as a boundary between free and bound electron states are discussed. As a test case, the ionization degree, electron density, and contributions to the potential V(r) are computed for Ar at temperatures ranging from a few eV to some keV, and ionic densities between 1×1019 cm-3 and 1×1023 cm-3. Results of the model are compared with those obtained by means of the Thomas-Fermi model and by other analytical approaches.

DOI:10.12693/APhysPolA.134.1126 PACS numbers: 31.15.bt, 52.25.Jm, 52.27.Aj