Excited states in warm and hot dense matter.

Starrett, C E; Thelen, T Q; Fontes, C J; Rehn, D A

Starrett, C E; Thelen, T Q; Fontes, C J; Rehn, D A.

Afiliación

Starrett CE; Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, USA.
Thelen TQ; Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, USA.
Fontes CJ; Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, USA.
Rehn DA; Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, USA.

Phys Rev E ; 109(3-2): 035201, 2024 Mar.

Article en En | MEDLINE | ID: mdl-38632718

ABSTRACT

ABSTRACT

Accurate modeling of warm and hot dense matter is challenging in part due to the multitude of excited states that must be considered. Here, we present a variational framework that models these excited states. In this framework an excited state is defined by a set of effective one-electron occupation factors, and the corresponding energy is defined by the effective one-body energy with an exchange and correlation term. The variational framework is applied to an atom-in-plasma model (a generalization of the so-called average atom model). Comparisons with a density functional theory based average atom model generally reveal good agreement in the calculated pressure, but our model also gives access to the excitation energies and charge state distributions.

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Rev E Año: 2024 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Estados Unidos

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