Related papers: Virial inversion and density functionals
A classical model for water-gas flows in porous media is considered. The degenerate coupled system of equations obtained by mass conservation is usually approximated by finite volume schemes in the oil reservoir simulations. The convergence…
The standard model of classical Density Functional Theory for pair potentials consists of a hard-sphere functional plus a mean-field term accounting for long ranged attraction. However, most implementations using sophisticated Fundamental…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
Iterative Fast Fourier Transform methods are useful for calculating the fields in composite materials and their macroscopic response. By iterating back and forth until convergence, the differential constraints are satisfied in Fourier…
We show a Dvoretsky-Rogers type Theorem for the adapted version of the $q$-summing operators to the topology of the convergence of the vector valued integrals on Banach function spaces. In the pursuit of this objective we prove that the…
A recognized trend of research investigates generalizations of the Hadamard's inversion theorem to functions that may fail to be differentiable. In this vein, the present paper explores some consequences of a recent result about the…
We consider the classical Inverse Function Theorem of Nash and Moser from the angle of some recent development by Ekeland and the authors. Geometrisation of tame estimates coupled with certain ideas coming from Variational Analysis when…
The first detailed comparison between ab initio calculations of finite fermionic superfluid systems, performed recently by Chang and Bertsch [Phys. Rev. A 76, 021603(R), (2007)] and by von Stecher, Greene and Blume [e-print…
A formulation of the density functional theory is constructed on the foundations of entropic inference. The theory is introduced as an application of maximum entropy for inhomogeneous fluids in thermal equilibrium. It is shown that entropic…
Hard spheres are a central and important model reference system for both homogeneous and inhomogeneous fluid systems. In this paper we present new high-precision molecular-dynamics computer simulations for a hard sphere fluid at a planar…
This book deals with functions allowing to express the dissimilarity (discrepancy) between two data fields or ''divergence functions'' with the aim of applications to linear inverse problems. Most of the divergences found in the litterature…
We prove that certain quotients of entire functions are characteristic functions. Under some conditions, the probability measure corresponding to a characteristic function of that type has a density which can be expressed as a generalized…
In this article we discuss density of products of biharmonic functions vanishing on an arbitrarily small part of the boundary. We prove that one can use three or more such biharmonic functions to construct a dense subset of smooth symmetric…
In this paper, we consider a moving rigid solid immersed in a potential fluid. The fluid-solid system fills the whole two dimensional space and the fluid is assumed to be at rest at infinity. Our aim is to study the inverse problem,…
A generalized version of Groeneveld's convergence criterion for the virial expansion and generating functionals for weighted $2$-connected graphs is proven. The criterion works for inhomogeneous systems and yields bounds for the density…
A hard sphere fluid confined by hard, structureless, and parallel walls is investigated using a certain version of weighted density functional theory. The density profile, the excess coverage, the finite size contribution to the free…
Polarization tensor corresponding to near zero volume inhomogeneities was introduced in the pioneering work by Capdeboscq-Vogelius \cite{CV1,CV2}. A beautiful application of the polarization tensor to an inverse problem involving…
The Kohn-Sham iteration of generalized density-functional theory on Banach spaces with Moreau-Yosida regularized universal Lieb functional and an adaptive damping step is shown to converge to the correct ground-state density. This result…
The functional linear model extends the notion of linear regression to the case where the response and covariates are iid elements of an infinite dimensional Hilbert space. The unknown to be estimated is a Hilbert-Schmidt operator, whose…
The celebrated work of Onsager on hard particle systems, based on the truncated second order virial expansion, is valid at relatively low volume fractions for large aspect ratio particles. While it predicts the isotropic-nematic phase…