Multi-center electronic structure calculations for plasma equation of state

TitleMulti-center electronic structure calculations for plasma equation of state
Publication TypeJournal Article
Year of Publication2011
AuthorsWilson BG, Johnson DD, Alam A
Journal TitleHigh Energy Density Physics
Date Published06
ISBN Number1574-1818
Accession NumberISI:000290657900004
Keywordsband-structure calculations, coherent-potential approximation, equation of state, green-function, kkr method, kohn-rostoker method, multi-center electronic structure, multiple-scattering theory, one-dimensional model, plasmas, shape-truncation functions, voronoi polyhedra, X-RAY-ABSORPTION

We report on an approach for computing electronic structure utilizing solid-state multi-center scattering techniques, but generalized to finite temperatures to model plasmas. This approach has the advantage of handling mixtures at a fundamental level without the imposition of ad-hoc continuum lowering models, and incorporates bonding and charge exchange, as well as multi-center effects in the calculation of the continuum density of states. (C) 2011 Elsevier B.V. All rights reserved.

URL<Go to ISI>://000290657900004
Alternate JournalHigh Energ Dens PhysHigh Energ Dens Phys