Related papers: Density functional approach for inhomogeneous star…
The Hohenberg-Kohn theorem and Kohn-Sham procedure are extended to functionals of the localized intrinsic density of a self-bound system such as a nucleus. After defining the intrinsic-density functional, we modify the usual Kohn-Sham…
We proposed in Ref. [arXiv:1812.09285v2] a way to improve energy density functionals in the density functional theory based on the combination of the inverse Kohn-Sham method and the density functional perturbation theory. In this…
This paper represents one contribution to a larger Roadmap article reviewing the current status of the FHI-aims code. In this contribution, the implementation of density-functional perturbation theory in a numerical atom-centered framework…
A previous study (Paper I) investigated the polarization properties of a variety of simple convex grain shapes, some of which were found to be consistent with the observed polarization properties of interstellar dust from far-ultraviolet to…
We calculate ground-state energies and densities of a helium atom confined in an impenetrable spherical box within density functional theory. These calculations are performed by variationally solving Kohn-Sham equation with the ground-state…
The universal density-force relation is analyzed and the correspondent universal amplitude ratio $B_{real}$ is obtained using the massive field theory approach in fixed space dimensions d=3 up to one-loop order. The layer monomer density…
The main goal of the present contribution is a pedagogical introduction to the fascinating world of neutron stars by relying on relativistic density functional theory. Density functional theory provides a powerful--and perhaps…
We derive the short distance interaction of star polymers in a colloidal solution. We calculate the corresponding force between two stars with arbitrary numbers of legs f_1 and f_2. We show that a simple scaling theory originally derived…
In the framework of the Density Functional Theory for superconductors, we study the restoration of the particle number symmetry by means of the projection technique. Conceptual problems are outlined and numerical difficulties are discussed.…
Special bases of orthogonal polynomials are defined, that are suited to expansions of density and potential perturbations under strict particle number conservation. Particle-hole expansions of the density response to an arbitrary…
We propose and demonstrate an interferometric scheme for measuring the two-dimensional two-point cross-spectral density function in a two-shot manner. Our scheme comprises a Michelson interferometer with a converging lens in one of the arms…
An overview of some recent developments in inhomogeneous models is presented. As the volume and precision of cosmological data improves, it will become more and more essential to understand the non-linear behaviour of the Einstein field…
Absorption spectra of small molecular aggregates (oligomers) are considered. The dipole-dipole interaction between the monomers leads to shifts of the oligomer spectra with respect to the monomer absorption. The line-shapes of monomer as…
We study various manifestations of structural crossover in the properties of a binary mixture of hard-spheres. For homogeneous mixtures that are sufficiently asymmetric, there is a crossover line in the phase diagram such that for…
We present a method to numerically estimate the densities of a discretely sampled data based on binary space partitioning tree. We start with a root node containing all the particles and then recursively divide each node into two nodes each…
The properties of a hard-sphere fluid in contact with hard spherical and cylindrical walls are studied. Rosenfeld's density functional theory (DFT) is applied to determine the density profile and surface tension $\gamma$ for wide ranges of…
The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review…
We study interpolation inequalities between H\"older Integral Probability Metrics (IPMs) in the case where the measures have densities on closed submanifolds. Precisely, it is shown that if two probability measures $\mu$ and $\mu^\star$…
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…
Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…