Related papers: Spherical Density Functional Theory
An interesting fundamental problem in density-functional theory of electronic structure of matter is to construct the exact Kohn-Sham (KS) potential for a given density. The exact potential can then be used to assess the accuracy of…
A density-functional theory is established for inhomogeneous superfluids at finite temperature, subject to time-dependent external fields in isothermal conditions. After outlining parallelisms between a neutral superfluid and a charged…
The density-functional approach to quantum electrodynamics is extending traditional density-functional theory and opens the possibility to describe electron-photon interactions in terms of effective Kohn-Sham potentials. In this work, we…
In the exact Kohn-Sham density-functional theory (DFT), the total energy versus the number of electrons is a series of linear segments between integer points. However, commonly used approximate density functionals produce total energies…
We present a rigorous formulation of generalized Kohn-Sham density-functional theory. This provides a straightforward Kohn-Sham description of many-body systems based not only on particle-density but also on any other observable. We…
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…
The density profiles and other quantities of physical interest for spherically symmetric systems are computed by assuming that a collisionless stellar gas may relax to the non-Gaussian power law distribution suggested by the nonextensive…
Within density-functional theory, Moreau-Yosida regularization enables both a reformulation of the theory and a mathematically well-defined definition of the Kohn-Sham approach. It is further employed in density-potential inversion schemes…
The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…
Radiation efficiencies of modal current densities distributed on a spherical shell are evaluated in terms of dissipation factor. The presented approach is rigorous, yet simple and straightforward, leading to closed-form expressions. The…
We use density functional theory to describe the phase behaviors of rigid molecules. The construction of kernel function G(x, P, x, P) is discussed. Excluded-volume potential is calculated for two types of molecules with C_{2v} symmetry.…
A solid sphere is considered, with a uniformly distributed infinity of points. Two points being pseudorandomly chosen, the analytical probability density that their separation have a given value is computed, for three types of the…
Fluids made of two-dimensional hard particles with polygonal shapes may stabilize symmetries which do not result directly from the particle shape. This is due to the formation of clusters in the fluid. Entropy alone can drive these effects,…
We present Newtonian and fully general-relativistic solutions for the evolution of a spherical region of uniform interior density \rho_i(t), embedded in a background of uniform exterior density \rho_e(t). In both regions, the fluid is…
We develop a systematic framework for constructing spherical harmonics on the two-dimensional unit sphere as superpositions of Gaussian beams whose poles form well-separated point configurations. The distributional and analytic properties…
The initial state of the spherical gravitational collapse in general relativity has been studied with different methods, especially by using {\it a priori} given equations of state that describe the matter as a perfect fluid. We propose an…
The practical success of density functional theory (DFT) is largely credited to the Kohn-Sham approach, which enables the exact calculation of the non-interacting electron kinetic energy via an auxiliary noninteracting system. Yet, the…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…
We develop the most probable wave functions for a single free quantum particle given its momentum and energy by imposing its quantum probability density to maximize Shannon information entropy. We show that there is a class of solutions in…
Static spherically symmetric solutions to the Einstein-Euler equations with prescribed central densities are known to exist, be unique and smooth for reasonable equations of state. Some criteria are also available to decide whether…