Related papers: Radial Distribution Function in a Two Dimensional …
By combining methods of kinetic and density functional theory, we present a description of molecular fluids which accounts for their microscopic structure and thermodynamic properties as well as for the hydrodynamic behavior. We focus on…
Two forms of relativistic density functional are derived from Dirac equation. Based on their structure analysis model of split electron is proposed. In this model electric charge and mass of electron behave like two point-like particles. It…
Structure and spectral energy distributions (SEDs) of externally irradiated circumstellar disks are often computed on the basis of the two-temperature model of Chiang & Goldreich. We refine these calculations by using a more realistic…
In previous papers of this series, we presented a formalism able to account for both statistical equilibrium of a multilevel atom and coherent and incoherent scatterings (partial redistribution). aims: This paper provides theoretical…
A method is presented for finding anisotropic distribution functions for stellar systems with known, spherically symmetric, densities, which depends only on the two classical integrals of the energy and the magnitude of the angular…
The Rosenfeld functional provides excellent results for the prediction of the fluid phase of hard convex particle systems but fails beyond the freezing point. The reason for this limitation is the neglect of orientational and distance…
The contribution to the free energy for a film of liquid of thickness $h$ on a solid surface, due to the interactions between the solid-liquid and liquid-gas interfaces is given by the binding potential, $g(h)$. The precise form of $g(h)$…
An alternative type of approximation for the exchange and correlation functional in density functional theory is proposed. This approximation depends on a variable $u$ that is able to detect inhomogeneities in the electron density $\rho$…
Dense plasmas occur in stars, giant planets and in inertial fusion experiments. Accurate modeling of the electronic structure of these plasmas allows for prediction of material properties that can in turn be used to simulate these…
We present a unified quantum-mechanical derivation of the Wallis formula from two solvable radial systems: the circular states of the three-dimensional isotropic harmonic oscillator and the lowest-radial-branch states of the planar…
Partition density functional theory is a formally exact procedure for calculating molecular properties from Kohn-Sham calculations on isolated fragments, interacting via a global partition potential that is a functional of the fragment…
We give a variational formulation of classical statistical mechanics where the one-body density and the local entropy distribution constitute the trial fields. Using Levy's constrained search method it is shown that the grand potential is a…
The emergence of a multiplet structure of the helium-like ions is studied within Relativistic Schr\"odinger Theory (RST), a fluid-dynamic approach to the relativistic quantum theory of the many-particle systems. The fluid-dynamic character…
We study a set of Run-and-tumble particle (RTP) dynamics in two spatial dimensions. In the first case of the orientation {\theta} of the particle can assume a set of n possible discrete values while in the second case {\theta} is a…
A model for the radial distribution function $g(r)$ of a square-well fluid of variable width previously proposed [S. B. Yuste and A. Santos, J. Chem. Phys. {\bf 101}, 2355 (1994)] is revisited and simplified. The model provides an explicit…
The density-functional theory proves that an ion-electron mixture can be treated as a one-component liquid interacting only via a {\it pairwise} interaction in the evaluation of the ion-ion radial distribution function (RDF), and provides a…
In the framework of the density functional theory of freezing proposed in our previous works, we calculate the phase diagram of two-dimensional system of particles interacting through the repulsive shoulder potential. This potential…
Granular systems confined in vertically vibrated shallow horizontal boxes (quasi two-dimensional geometry) present a liquid to solid phase transition when the frequency of the periodic forcing is increased. An effective model, where grains…
Theoretical calculations of materials have in recent years shown promise in facilitating the analysis of convoluted experimental data. This is particularly invaluable in complex systems or for materials subject to certain environmental…
Wigner functions are broadly used to probe non-classical effects in the macroscopic world. Here we develop an orbital-free functional framework to compute the 1-body Wigner quasi-probability for both fermionic and bosonic systems. Since the…