Related papers: High Temperature Electronic Structure with KKR
Radiative cooling is an important ingredient in hydrodynamical models involving evolution of high temperature plasmas. Unfortunately, calculating an accurate cooling coefficient generally requires the solution of over a hundred differential…
We perform first-principles path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of LiF. Our simulations cover a wide density-temperature range of…
Active thermal control is crucial in achieving the required accuracy and throughput in many industrial applications, e.g., in the medical industry, high-power lighting industry, and semiconductor industry. Thermoelectric Modules (TEMs) can…
The quasi-particle model of quark gluon plasma (QGP) is revisited here with thermodynamically consistent formalism, different from earlier studies, without the need of temperature dependent bag constant as well as other effects such as…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
Warm dense matter is one of the most active frontiers in plasma physics due to its relevance for dense astrophysical objects as well as for novel laboratory experiments in which matter is being strongly compressed e.g. by high-power lasers.…
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe changes in…
This work is devoted to the thermodynamics of high-temperature dense hydrogen plasmas in the pressure region between $10^{-1}$ and $10^2$ Mbar. In particular we present for this region results of extensive calculations based on a recently…
We describe quark matter in the framework of non-extensive thermodynamics. We point out that partcile spectra with power-law tail lead to an increased energy and entropy per particle. This way even a massless plasma may give E/N = 1 GeV at…
A method for the generation of ultrarelativistic electron beams with high spin polarization is put forward, where a tightly-focused linearly-polarized ultraintense laser pulse interacts with a nonprepolarized transverse-size-tailored solid…
We calculate the energy and hydrostatic pressure densities of a hot quark-gluon plasma in thermal equilibrium through diagrammatic analyses of the statistical average, $\langle \Theta_{\mu \nu} \rangle$, of the energy-momentum-tensor…
We present a detailed comparison between ONETEP, our linear-scaling density functional method, and the conventional pseudopotential plane wave approach in order to demonstrate its high accuracy. Further comparison with all-electron…
The equation of state (EOS) of materials at warm dense conditions poses significant challenges to both theory and experiment. We report a combined computational, modeling, and experimental investigation leveraging new theoretical and…
The properties of the Kohn-Sham (KS) exchange potential for open systems in thermodynamical equilibrium, where the number of particles is non-conserved, are analyzed with the Optimized Effective Potential (OEP) method of Density Functional…
We study the impact of background electric fields on a hot plasma of charged particles -- a setting relevant for the early stages of heavy-ion collisions as well as laser pulse experiments. Historically, the electric susceptibility --…
An efficient method for calculating the electronic structure in large systems with a fully converged BZ sampling is presented. The method is based on a k.p-like approximation developed in the framework of the density functional perturbation…
We investigate the electron-phonon cooling power in disordered electronic systems with a special focus on mesoscopic superconducting proximity structures. Employing the quasiclassical Keldysh Green's function method, we obtain a general…
As shown in our previous studies, geometrical field grading techniques such as stacked and protruding substrate designs cannot well mitigate high electric stress issue within power electronics modules. However, it was shown that a…
The study of parametric instabilities has played a crucial role in understanding energy transfer to plasma and, with that, the development of key applications such as inertial confinement fusion. When the densities are between…
A two-electron temperature plasma is produced by the method of diffusion of two different plasmas with distinct temperatures and densities. The method is simple and provides an adequate control over the plasma parameters. The study reveals…