Related papers: New biorthogonal potential--density basis function…
In this article our main object of investigation is the simple modular density ideals $\mathcal{Z}_g(f)$ introduced in [Bose et al., Indag. math., 2018] where $g$ is a weight function, more precisely, $g\in G$, $G=\{g:\omega \to…
Density functional theory for a simple model of dendrimers is proposed. The theory is based on fundamental measure theory which accounts for the hard-sphere repulsion of the segments and on the Wertheim first-order perturbation theory for…
A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these…
Highly oscillatory integrals, such as those involving Bessel functions, are best evaluated analytically as much as possible, as numerical errors can be difficult to control. We investigate indefinite integrals involving monomials in $x$…
An analytic galaxy model with $\rho \sim r^{-1}$ at small radii and $\rho \sim r^{-3.5}$ at large radii is presented. The asymptotic density fall-off is slower than the Hernquist model, but faster than the Navarro-Frenk-White (NFW) profile…
In this work, we present an analytical study of the electrostatic potential generated by a charged disk with a surface charge distribution that possesses radial axial symmetry. We express the potential in cylindrical coordinates and apply a…
Density functional theory (DFT) offers a desirable balance between quantitative accuracy and computational efficiency in practical many-electron calculations. Its central component, the exchange-correlation energy functional, has been…
In the density functional (DF) theory of Kohn and Sham, the kinetic energy of the ground state of a system of noninteracting electrons in a general external field is calculated using a set of orbitals. Orbital free methods attempt to…
The molecular density functional theory of fluids provides an exact theory for computing solvation free energies in implicit solvents. One of the reasons it has not received nearly as much attention as quantum density functional theory for…
We introduce and study a new scale of function spaces that characterize the homogeneous Besov spaces $\mathrm{\dot B}^{\beta}_{p,q}$, hence completing earlier work by Ullrich. These new spaces include the ones introduced by Barton and…
The fundamental measure density functional theory for hard spheres is generalized to binary mixtures of arbitrary positive and moderate negative non-additivity between unlike components. In bulk the theory predicts fluid-fluid phase…
We review properties of Bessel potentials, that is, inverse Fourier transforms of (regularizations of) $\frac{1}{(m^2+p^2)^{\frac{\mu}{2}}}$ on a pseudoEuclidean space with signature $(q,d-q)$. We are mostly interested in the Lorentzian…
We study Density Functional Theory models for systems which are translationally invariant in some directions, such as a homogeneous 2-d slab in the 3-d space. We show how the different terms of the energy are modified and we derive reduced…
We examine indefinite integral involving of arbitrary power $x$, multiplied by three spherical Bessel functions of the first kind $j_{h},j_{k}$, and $j_{l}$ with integer order $h,k,l \geq 0$ and an exponential. Then we add some conditions…
We reexamine results obtained with the recently proposed density functional theory framework based on forces (force-DFT) [Tschopp et al., Phys. Rev. E 106, 014115 (2022)]. We compare inhomogeneous density profiles for hard sphere fluids to…
In this paper, the integral $\pmatrix{\lambda_1 &\lambda_2 &\lambda_3\cr 0 &0 &0\cr}\, \int_0^\infty \, r^{\lambda_3+2}\, \exp{(-\alpha r^2)}\, j_{\lambda_1}(k_1r) \,j_{\lambda_2}(k_2r) \,dr$, where $k_1$, $k_2$ and $\alpha$ are positive,…
New low-order $H(\textrm{div})$-conforming finite elements for symmetric tensors are constructed in arbitrary dimension. The space of shape functions is defined by enriching the symmetric quadratic polynomial space with the $(d+1)$-order…
Simple analytical models, such as the Hernquist model, are very useful tools to investigate the dynamical structure of galaxies. Unfortunately, most of the analytical distribution functions are either isotropic or of the Osipkov-Merritt…
In this paper, we investigate the relationship between positive definite functions on the unit sphere $\sph$ and on the Euclidean space $\RR^d$. For the dimension $d$ to be odd, a new technique is developed to establish the inheritance of…
The recently developed "internal" Density Functional Theory provides an existence theorem for a local potential that contains the center-of-mass correlations effects. The knowledge of the corresponding energy functional would provide a much…