Related papers: Density functional approach for inhomogeneous star…
Recently, inhomogeneous generalisations of the Friedmann-Lemaitre-Robertson-Walker cosmological models have gained interest in the astrophysical community and are more often employed to study cosmological phenomena. However, in many papers…
Polymer-coated pores play a crucial role in nucleo-cytoplasmic transport and in a number of biomimetic and nanotechnological applications. Here we present Monte Carlo and Density Functional Theory approaches to identify different collective…
Recent studies of the nearest star-forming clouds of the Galaxy at submillimeter wavelengths with the Herschel Space Observatory have provided us with unprecedented images of the initial and boundary conditions of the star formation…
We construct a density functional theory (DFT) for the sticky hard sphere (SHS) fluid which, like Rosenfeld's fundamental measure theory (FMT) for the hard sphere fluid [Phys. Rev. Lett. {\bf 63}, 980 (1989)], is based on a set of weighted…
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 discuss the induced star formation in dense walls of expanding shells. The fragmentation process is studied using the linear perturbation theory. The influence of the energy input, the ISM distribution and the ISM speed of sound is…
A density-functional approach on the hexagonal graphene lattice is developed using an exact numerical solution to the Hubbard model as the reference system. Both nearest-neighbour and up to third nearest-neighbour hoppings are considered…
We derive an analytical density functional for the single-site entanglement of the one-dimensional homogeneous Hubbard model, by means of an approximation to the linear entropy. We show that this very simple density functional reproduces…
We combine density-functional theory with density-matrix functional theory to get the best of both worlds. This is achieved by range separation of the electronic interaction which permits to rigorously combine a short-range density…
In the past decade, classical dynamical density functional theory (DDFT) has been developed and widely applied to the Brownian dynamics of interacting colloidal particles. One of the possible derivation routes of DDFT from the microscopic…
Synthetic copolymers and biopolymers, such as polypeptides and double-stranded DNA, often exhibit strong variations in bending stiffness along their contour, which can significantly impact conformational behavior at larger scales. To…
Using density-functional theory and a tight-binding approach we investigate the physical origin of distinct favourable geometries of adsorbed hydrogen atoms in various graphyne structures, and the relation with electronic properties. In…
Observational cosmology provides us with a large number of high precision data which are used to derive models trying to reproduce ``on the mean'' our observable patch of the Universe. Most of these attempts are achieved in the framework of…
This work is devoted to the exact statistical mechanics treatment of simple inhomogeneous few-body systems. The system of two Hard Spheres (HS) confined in a hard spherical pore is systematically analyzed in terms of its dimensionality >.…
Polymer mixtures fractionate between phases depending on their molecular weight. Consequently, by varying solvent conditions, a polydisperse polymer sample can be separated between phases so as to achieve a particular molecular weight…
Methods: Observing the large pc-scale Stokes I mm dust continuum emission with the IRAM 30m telescope and the intermediate-scale (<0.1pc) polarized submm dust emission with the Submillimeter Array toward a sample of 20 high-mass…
Density functional theory has been used to study the adsorption of molecular H2 on a graphene layer. Different adsorption sites on top of atoms, bonds and the center of carbon hexagons have been considered and compared. We conclude that the…
Parametrized nucleon density distributions are widely employed for the calculation of the properties of atomic nuclei and dense inhomogeneous matter in compact stars within the Thomas-Fermi method and its extensions. We show that the use of…
We examine the density-functional theory of macroscopic insulators, obtained in the large-cluster limit or under periodic boundary conditions. For polar crystals, we find that the two procedures are not equivalent. In a large-cluster case,…
Starting from a general classical model of many interacting particles we present a well defined step by step procedure to derive the continuum-mechanics equations of nonlinear elasticity theory with fluctuations which describe the…