Related papers: Spherical Density Functional Theory
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
Within the scope of a spherically symmetric space-time we study the role of different types of matter in the formation of different configurations with spherical symmetries. Here we have considered matter with barotropic equation of state,…
Accurate description of deformed atomic nuclei by the orbital-free density functional theory has been a longstanding textbook challenge, due to the difficulty in accounting for the intricate quantum shell effects that are present in such…
We present an extension of our recently introduced molecular density functional theory of water [G. Jeanmairet et al., J. Phys. Chem. Lett. 4, 619, 2013] to the solvation of hydrophobic solutes of various sizes, going from angstroms to…
A new solution with constant torsion is derived using the field equations of f(T). Asymptotic forms of energy density, radial and transversal pressures are shown to meet the standard energy conditions, i.e., weak and null energy conditions…
The probability distribution function (PDF) of the mass surface density of molecular clouds provides essential information about the structure of molecular cloud gas and condensed structures out of which stars may form. In general, the PDF…
This note describes five subjects of some interest for the density functional theory in nuclear physics. These are, respectively, i) the need for concave functionals, ii) the nature of the Kohn-Sham potential for the radial density theory,…
The partition function and the one- and two-body distribution functions are evaluated for two hard spheres with different sizes constrained into a spherical pore. The equivalent problem for hard disks is addressed too. We establish a…
We derive expressions for the expectation values of the local energy and the local power transferred by an external electrical field to a many-particle system of interacting spinless electrons. In analogy with the definition of the (local)…
An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of…
In this work we study in a formal way the density dependent hadron field theory at finite temperature for nuclear matter. The thermodynamical potential and related quantities, as energy density and pressure are derived in two different…
We investigate the particle and kinetic-energy densities for a system of $N$ fermions bound in a local (mean-field) potential $V(\bfr)$. We generalize a recently developed semiclassical theory [J. Roccia and M. Brack, Phys. Rev.\ Lett. {\bf…
The probability distribution function (PDF) of the mass surface density is an essential characteristic of the structure of molecular clouds or the interstellar medium in general. Observations of the PDF of molecular clouds indicate a…
The self-similar infall model (SSIM) is normally discussed in the context of radial orbits in spherical symmetry. However it is possible to retain the spherical symmetry while permitting the particles to move in Keplerian ellipses, each…
Geometric and topological bounds are obtained for the first energy level gap of a particle constrained to move on a compact surface in 3-space. Moreover, geometric properties are found which allows for stationary and uniformly distributed…
A lot of problems of atomic and nuclear physics depend on with high accuracy to the Coulomb potential. Therefore, it is very important to carefully and accurately calculate the Coulomb potential. In this study, a new analytical expression…
We introduced a new electron density n({\epsilon}) by projecting the spatial electron density n(r) onto the energy coordinate {\epsilon} defined with the external potential \upsion (r) of interest. Then, a density functional theory (DFT)…
We present a partial differential equation describing the electromagnetic potentials around a charge distribution undergoing rigid motion at constant proper acceleration, and obtain a set of solutions to this equation. These solutions are…
We compare Kohn-Sham results (density, cohesive energy, size and effect of charging) of the Spherical Averaged Pseudopotential Model with the Stabilized Jellium Model for clusters of sodium and aluminum with less than 20 atoms. We find that…
Galaxies and the dark matter halos that host them are not spherically symmetric, yet spherical symmetry is a helpful simplifying approximation for idealised calculations and analysis of observational data. The assumption leads to an exact…