title: Integral equation model for warm and hot dense mixtures.
abstract: In a previous work [C. E. Starrett and D. Saumon, Phys. Rev. E 87, 013104 (2013)] a model for the calculation of electronic and ionic structures of warm and hot dense matter was described and validated. In that model the electronic structure of one atom in a plasma is determined using a density-functional-theory-based average-atom (AA) model and the ionic structure is determined by coupling the AA model to integral equations governing the fluid structure. That model was for plasmas with one nuclear species only. Here we extend it to treat plasmas with many nuclear species, i.e., mixtures, and apply it to a carbon-hydrogen mixture relevant to inertial confinement fusion experiments. Comparison of the predicted electronic and ionic structures with orbital-free and Kohn-Sham molecular dynamics simulations reveals excellent agreement wherever chemical bonding is not significant.
authors.affiliation: Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, USA.
authors.forename: C E
authors.initials: CE
authors.lastname: Starrett
authors.affiliation: Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, USA.
authors.forename: D
authors.initials: D
authors.lastname: Saumon
authors.affiliation: Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, USA.
authors.forename: J
authors.initials: J
authors.lastname: Daligault
authors.affiliation: Lawrence Livermore National Laboratory, Livermore, California 94550, USA.
authors.forename: S
authors.initials: S
authors.lastname: Hamel
mesh_terms: D002244:Carbon / Q000737:chemistry*; D004583:Electrons; D006358:Hot Temperature; D006859:Hydrogen / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D011789:Quantum Theory
chemical_list: D002244:Carbon; D006859:Hydrogen