Related papers: Local exchange-correlation vector potential with m…
The reliability of density-functional calculations hinges on accurately approximating the unknown exchange-correlation (xc) potential. Common (semi-)local xc approximations lack the jump experienced by the exact xc potential as the number…
We prove the existence of large-data global-in-time weak solutions to an evolutionary PDE system describing flows of incompressible \emph{heat-conducting} viscoelastic rate-type fluids with stress-diffusion, subject to a stick-slip boundary…
In this paper, we propose a robust low-order stabilization-free virtual element method on quadrilateral meshes for linear elasticity that is based on the stress-hybrid principle. We refer to this approach as the Stress-Hybrid Virtual…
Electronic structures are fully determined by the exchange-correlation (XC) potential. In this work, we develop a new method to construct reliable XC potentials by properly mixing the exact exchange and the local density approximation…
Present work is a theoretical study on the stability of the thermotropic biaxial nematic liquid crystal phase in model systems. Its main aim is to present the phase diagrams of spatially uniform liquid mesophases and to identify the…
In this note we analyze a model for a unidirectional unsteady flow of a viscous incompressible fluid with time dependent viscosity. A possible way to take into account such behaviour is to introduce a memory formalism, including thus the…
We generalize (linearized) relativistic hydrodynamics by including all order gradient expansion of the energy momentum tensor, parametrized by four momenta-dependend transport coefficients, one of which is the usual shear viscosity. We then…
The linear laws of transport phenomena are central in our description of irreversible processes in systems across the physical sciences. Linear irreversible thermodynamics allows for the identification of the underlying forces driving…
Linear-response time-dependent density-functional theory (TDDFT) can describe excitonic features in the optical spectra of insulators and semiconductors, using exchange-correlation (xc) kernels behaving as $-1/k^{2}$ to leading order. We…
The time-dependent exchange-correlation potential has an unusual task in directing fictitious non-interacting electrons to move with exactly the same probability density as true interacting electrons. This has intriguing implications for…
Spin-currents and non-abelian gauge potentials in electronic systems can be treated by spin-current-density functional theory, whose main input is the exchange-correlation (xc) energy expressed as a functional of spin-currents. Constructing…
We present a novel approximation scheme for the treatment of strongly correlated electrons in arbitrary crystal lattices. The approach extends the well-known dynamical mean field theory to include nonlocal two-site correlations of arbitrary…
Time-dependent density functional theory continues to draw a large number of users in a wide range of fields exploring myriad applications involving electronic spectra and dynamics. Although in principle exact, the predictivity of the…
In non-diffusive conduction regimes of strongly correlated quantum electron systems, electromagnetic perturbations simultaneously probe the electronic dynamics in time and space: the exchanged energy $\hbar \omega$ excites retarded, i.e.,…
The possibility to derive an equation for the mean velocity field in turbulent flow by using classical statistical mechanics is investigated. An application of projection operator technique available in the literature is used for this…
We develop a diagrammatic approach with local and nonlocal self-energy diagrams, constructed from the local irreducible vertex. This approach includes the local correlations of dynamical mean field theory and long-range correlations beyond.…
The electronic exchange-correlation (XC) kernel constitutes a fundamental input for the estimation of a gamut of material properties such as the dielectric characteristics, the thermal and electrical conductivity, or the response to an…
We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead, in time-dependent density functional theory. Based on this system, we develop a…
We show that in the new description, Dirac's ``current vector'' is not related to a vector but to a tensor: the ``stress-energy tensor.'' Corresponding to Dirac's conservation law, we have the conservation laws of momentum and energy. The…
Liu procedure is applied to a first order weakly nonlocal special relativistic fluid. It is shown, that a reasonable relativistic theory is and extended one, where the basic state space contains the momentum density. This property follows…