First-principles derivation and properties of density-functional average-atom models

Callow, Timothy James

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First-principles derivation and properties of density-functional average-atom models

Callow, T. J.

Abstract

I demonstrate the key steps in a first-principles derivation of a density-functional average-atom model, and show the importance of the boundary condition used to solve the Kohn-Sham equations on results.

Poster
17th International Conference on the Physics of Non-Ideal Plasmas, 20.-24.09.2021, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-33612

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