Related papers: Density Functional Theory for Hard Particles in N …

In this article we replace the semi-heuristic derivation of the Rosenfeld functional of hard convex particles with the systematic calculation of Mayer clusters. It is shown that each cluster integral further decomposes into diagrams of…

The current article completes our investigation of the hard-particle interaction by determining their distribution functionals. Beginning with a short review of the perturbation expansion of the free-energy functional, we derive two…

A geometry-based density functional theory is presented for mixtures of hard spheres, hard needles and hard platelets; both the needles and the platelets are taken to be of vanishing thickness. Geometrical weight functions that are…

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…

Based on fundamental measure theory, a Helmholtz free energy density functional for three-component mixtures of hard spheres with general, non-additive interaction distances is constructed. The functional constitutes a generalization of the…

A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [H. Rydberg, et al., Phys. Rev. Lett. 91, 126402…

We represent the free energy functional by a diagrammatic series with tensorial coefficients indexed by powers of length scale. For hard cores, we obtain Percus' exact functional in one dimension and the Kierlik-Rosinberg form of…

To speak about fundamental measure theory obliges to mention dimensional crossover. This feature, inherent to the systems themselves, was incorporated in the theory almost from the beginning. Although at first it was thought to be a…

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…

We derive, from the dimensional cross-over criterion, a fundamental-measure density functional for parallel hard curved rectangles moving on a cylindrical surface. We derive it from the density functional of circular arcs of length $\sigma$…

Density functional theory stems from the Hohenberg-Kohn-Sham-Mermin (HKSM) theorem in the grand canonical ensemble (GCE). However, as recent work shows, although its extension to the canonical ensemble (CE) is not straightforward, work in…

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…

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…

Fluids made of two-dimensional hard particles with polygonal shapes may stabilize symmetries which do not result directly from the particle shape. This is due to the formation of clusters in the fluid. Entropy alone can drive these effects,…

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…

We establish the existence, finiteness, and uniqueness up to scaling of various isoperimetric profiles of a group, in all dimensions. We also show that these profiles all coincide in dimensions 4 and higher; in particular, the nth Dehn…

The core of this article is a general theorem with a large number of specializations. Given a manifold $N$ and a finite number of one-parameter groups of point transformations on $N$ with generators $Y, X_{(1)}, \cdots, X_{(d)} $, we…

We propose a density functional for anisotropic fluids of hard body particles. It interpolates between the well-established geometrically based Rosenfeld functional for hard spheres and the Onsager functional for elongated rods. We test the…

The holographic entanglement entropy functional for higher-curvature gravities involves a weighted sum whose evaluation, beyond quadratic order, requires a complicated theory-dependent splitting of the Riemann tensor components. Using the…

We prove that a general determinantal hypersurface of dimension 3 is nodal. Moreover, in terms of Chern classes associated with bundle morphisms, we derive a formula for the intersection homology Euler characteristic of a general…