Related papers: A local tensor that unifies kinetic energy density…
The gravitational energy-momentum within a small region as determined by two tetrad-teleparallel expressions is evaluated with the aid of an orthonormal frame adapted to Riemann normal coordinates. We find that the gauge current "tensor"…
In principle, many-electron correlation energy can be precisely computed from a reduced Wigner distribution function ($\mathcal{W}$) thanks to a universal functional transformation ($\mathcal{F}$), whose formal existence is akin to that of…
We present an ab initio inelastic quantum transport approach based on maximally localized Wannier functions. Electronic-structure properties are calculated with density-functional theory in a planewave basis, and electron-vibration coupling…
In this paper, we propose a first order action functional for a large class of systems that generalize the relativistic perfect fluids in the K\"{a}hler parametrization to noncommutative spacetimes. We calculate the equations of motion for…
The bulk properties (lattice constants, bulk moduli, and cohesive energies) of alkali, alkaline-earth, and transition metals are studied within the framework of the recently developed meta-GGA (meta-Generalized Gradient Approximation)…
Quasi-two-dimensional (2D) systems, such as an electron gas confined in a quantum well, are important model systems for many-body theories. Earlier studies of the crossover from 3D to 2D in ground-state density-functional theory showed that…
A model of the three-dimensional rotating compressible Euler equations on the cubed sphere is presented. The model uses a mixed mimetic spectral element discretization which allows for the exact exchanges of kinetic, internal and potential…
Spin is a fundamental property of any many-electron system. The ability of density functional theory to accurately predict the physical properties of a system, while varying its spin, is crucial for describing magnetic materials and…
In this paper density functionals for Coulomb systems subjected to electric and magnetic fields are developed. The density functionals depend on the particle density, $\rho$, and paramagnetic current density, $j^p$. This approach is…
We visualize the Kohn-Sham kinetic energy density (KED), and the ingredients -- the electron density, its gradient and Laplacian -- used to construct orbital-free models of it, for the AE6 test set of molecules. These are compared to…
We define super-energy tensors for arbitrary physical fields, including the gravitational, electromagnetic and massless scalar fields. We also define super-super-energy tensors, and so on. All these tensors satisfy the so-called "Dominant…
A microscopic framework of nuclear energy density functionals is reviewed, which establishes a direct relation between low-energy QCD and nuclear structure, synthesizing effective field theory methods and principles of density functional…
This paper derives and demonstrates a new, purely density-based ab initio approach for calculation of the energies and properties of many-electron systems. It is based upon the discovery of relationships that govern the "mechanics" of the…
A large panel of old and recently proposed exchange-correlation functionals belonging to rungs 1 to 4 of Jacob's ladder of density functional theory are tested (with and without a dispersion correction term) for the calculation of the…
The assessment of the global performance of the state-of-the-art covariant energy density functionals and related theoretical uncertainties in the description of ground state observables has recently been performed. Based on these results,…
The quasilocal energy of gravitational and matter fields in a spatially bounded region is obtained by employing a Hamilton-Jacobi analysis of the action functional. First, a surface stress-energy-momentum tensor is defined by the functional…
Electron density and electron momentum density, while independently tractable experimentally, bear no direct connection without going through the many-electron wave function. However, invoking a variant of the constrained-search formulation…
The increasing interest in the Mueller density-matrix-functional theory has led us to a systematic mathematical investigation of its properties. This functional is similar to the Hartree-Fock functional, but with a modified exchange term in…
We study the pseudo-local gravitoelectromagnetic stress-energy tensor for an arbitrary gravitational field within the framework of general relativity. It is shown that there exists a current of gravitational energy around a rotating mass.…
A nonperturbative determination of the energy-momentum tensor is essential for understanding the physics of strongly coupled systems. The ability of the Wilson flow to eliminate divergent contact terms makes it a practical method for…