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DOE OSTI · 1369177

Tartarus: A relativistic Green's function quantum average atom code

Gill, Nathanael Matthew·Starrett, Charles Edward
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Abstract

A relativistic Green’s Function quantum average atom model is implemented in the Tartarus code for the calculation of equation of state data in dense plasmas. We first present the relativistic extension of the quantum Green’s Function average atom model described by Starrett [1]. The Green’s Function approach addresses the numerical challenges arising from resonances in the continuum density of states without the need for resonance tracking algorithms or adaptive meshes, though there are still numerical challenges inherent to this algorithm. We discuss how these challenges are addressed in the Tartarus algorithm. The outputs of the calculation are shown in comparison to PIMC/DFT-MD simulations of the Principal Shock Hugoniot in Silicon. Finally, we also present the calculation of the Hugoniot for Silver coming from both the relativistic and nonrelativistic modes of the Tartarus code.

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71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICSAverage Atom, Warm Dense Matter, Equation of State

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BibTeXRIS

Gill, Nathanael Matthew, Starrett, Charles Edward. 2017-06-28. Tartarus: A relativistic Green's function quantum average atom code. https://doi.org/10.1016/j.hedp.2017.06.002

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