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Warm dense matter (WDM)—an exotic state of highly compressed matter—has attracted increased interest in recent years in astrophysics and for dense laboratory systems. At the same time, this state is extremely difficult to treat theoretically. This is due to the simultaneous appearance of quantum degeneracy, Coulomb correlations, and thermal effects, as well as the overlap of plasma and condensed phases. Recent breakthroughs are due to the successful application of density functional theory (DFT) methods which, however, often lack the necessary accuracy and predictive capability for WDM applications. The situation has changed with the availability of the first ab initio data for the exchange–correlation free energy of the warm dense uniform electron gas (UEG) that were obtained by quantum Monte Carlo (QMC) simulations; for recent reviews, see Dornheim et al., Phys. Plasmas 24, 056303 (2017) and Phys. Rep. 744, 1–86 (2018). In the present article, we review recent further progress in QMC simulations of the warm dense UEG: namely, ab initio results for the static local field correction G(q) and for the dynamic structure factor S (q , ω). These data are of key relevance for comparison with x-ray scattering experiments at free electron laser facilities and for the improvement of theoretical models. In the second part of this paper, we discuss the simulations of WDM out of equilibrium. The theoretical approaches include Born-Oppenheimer molecular dynamics, quantum kinetic theory, time-dependent DFT, and hydrodynamics. Here, we analyze the strengths and limitations of these methods and argue that progress in WDM simulations will require a suitable combination of all methods. A particular role might be played by quantum hydrodynamics, and we concentrate on problems, recent progress, and possible improvements of this method. [ABSTRACT FROM AUTHOR]

In megabar shock waves, materials compress and undergo a phase transition to a dense charged-particle system that is dominated by strong correlations and quantum effects. This complex state, known as warm dense matter, exists in planetary interiors and many laboratory experiments (for example, during high-power laser interactions with solids or the compression phase of inertial confinement fusion implosions). Here, we apply record peak brightness X-rays at the Linac Coherent Light Source to resolve ionic interactions at atomic (ångström) scale lengths and to determine their physical properties. Our in situ measurements characterize the compressed lattice and resolve the transition to warm dense matter, demonstrating that short-range repulsion between ions must be accounted for to obtain accurate structure factor and equation of state data. In addition, the unique properties of the X-ray laser provide plasmon spectra that yield the temperature and density with unprecedented precision at micrometre-scale resolution in dynamic compression experiments. [ABSTRACT FROM AUTHOR]

One of the grand challenges of contemporary physics is understanding strongly interacting quantum systems comprising such diverse examples as ultracold atoms in traps, electrons in high-temperature superconductors and nuclear matter. Warm dense matter, defined by temperatures of a few electron volts and densities comparable with solids, is a complex state of such interacting matter. Moreover, the study of warm dense matter states has practical applications for controlled thermonuclear fusion, where it is encountered during the implosion phase, and it also represents laboratory analogues of astrophysical environments found in the core of planets and the crusts of old stars. Here we demonstrate how warm dense matter states can be diagnosed and structural properties can be obtained by inelastic X-ray scattering measurements on a compressed lithium sample. Combining experiments and ab initio simulations enables us to determine its microscopic state and to evaluate more approximate theoretical models for the ionic structure. [ABSTRACT FROM AUTHOR]

We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems. [ABSTRACT FROM AUTHOR]

Abstract: We demonstrate the possibilities of classical integral equations (HNC approach) and ab initio quantum simulations (DFT-MD) to yield structural properties of warm dense matter needed to model and interpret X-ray scattering signals. For that goal, the electronic as well as the ionic structure is needed. We show that the classical hypernetted chain equations yield reasonable ion–ion structure factors if statically screened potentials are used. The electronic densities, however, must be calculated fully quantum-mechanically within density functional theory. Taking warm, slightly compressed Lithium as an example, it is demonstrated that the correlations with the surrounding medium modify even wave functions of tightly bound electrons (1s shell) significantly. Due to the more extended wave functions smaller X-ray scattering cross-sections are expected. [Copyright &y& Elsevier]