Related papers: A Nonlocal Functional Promoting Low-Discrepancy Po…

We study sets of $N$ points on the $d-$dimensional torus $\mathbb{T}^d$ minimizing interaction functionals of the type \[ \sum_{i, j =1 \atop i \neq j}^{N}{ f(x_i - x_j)}. \] The main result states that for a class of functions $f$ that…

Semi-local density functionals for the exchange-correlation energy of electrons are extensively used as it produce realistic and accurate results for finite and extended systems. The choice of techniques play crucial role in constructing…

It is widely believed that the energy functional $E_p:(\mathbb{S}^2)^n \rightarrow \mathbb{R}$ $$ E_p = \sum_{i,j=1 \atop i \neq j}^{n} \frac{1}{\|x_i-x_j\|^p}$$ has a number of critical points, $\nabla E(x) = 0$, that grows exponentially…

Static correlation error(SCE) inevitably emerges when a dissociation of a covalent bond is described with a conventional denstiy-functional theory (DFT) for electrons. SCE gives rise to a serious overshoot in the potential energy at the…

Motivated by the considerable importance of material properties in modern condensed matter physics research, and using techniques of the $N_{e}$ -electron systems in terms of the electron density $n_{\sigma e}\left( r\right) $ needed to…

We present a fixed point theorem for a class of (potentially) non-monotonic functions over specially structured complete lattices. The theorem has as a special case the Knaster-Tarski fixed point theorem when restricted to the case of…

The two-dimensional Terry-Horton equation is shown to exhibit the Dimits shift when suitably modified to capture both the nonlinear enhancement of zonal/drift-wave interactions and the existence of residual Rosenbluth-Hinton states. This…

We study point configurations on the torus $\mathbb T^d$ that minimize interaction energies with tensor product structure which arise naturally in the context of discrepancy theory and quasi-Monte Carlo integration. Permutation sets on…

For the kinetic energy of 1d model finite systems the leading corrections to local approximations as a functional of the potential are derived using semiclassical methods. The corrections are simple, non-local functionals of the potential.…

A kinetic energy functional Ee was developed within the framework of the density-functional theory (DFT) based on the energy electron density for the purpose of realizing the orbital-free DFT. The functional includes the nonlocal term…

We propose a way to improve energy density functionals (EDFs) in the density functional theory based on the combination of the inverse Kohn--Sham method and the density functional perturbation theory. Difference between the known EDF and…

We establish necessary and sufficient conditions for the N-representability of the universal one-electron reduced density matrix functional. Functionals satisfying these conditions are guaranteed to yield variational upper bounds on the…

The paper aims at finding widely and smoothly defined nonparametric location and scatter functionals. As a convenient vehicle, maximum likelihood estimation of the location vector m and scatter matrix S of an elliptically symmetric t…

In this short survey we recollect some of the recent results on the high energy behavior (i.e., for diverging sequences of eigenvalues) of nonlinear functionals of Gaussian eigenfunctions on the $d$-dimensional sphere $\mathbb S^d$, $d\ge…

We study energy functionals obtained by adding a possibly discontinuous potential to an interaction term modeled upon a Gagliardo-type fractional seminorm. We prove that minimizers of such non-differentiable functionals are locally bounded,…

Let P be an hyperplane in R^N, and denote by dH the Hausdorff distance. We show that for all positive radius r < 1 there is an epsilon > 0, such that if K is a Reifenberg-flat set in B(0; 1), a ball in R^N, that contains the origin, with…

A technique allowing for a perturbative treatment of nonlocal corrections to the single-site dynamical mean-field theory (DMFT) in finite dimensions is developed. It is based on the observation that in the case of strong electron…

Let LUC$(S)$ be the space of left uniformly continuous functions on a semitopological semigroup $S$. Suppose that $S$ is right reversible and $\operatorname{LUC}(S)$ has a left invariant mean. Let $(X,d)$ be a Fr\'echet space. Let $\tau$ be…

There is a number of explicit kinetic energy density functionals for non-interacting electron systems that are obtained in terms of the electron density and its derivatives. These semilocal functionals have been widely used in the…

The irregularities of a distribution of $N$ points in the unit interval are often measured with various notions of discrepancy. The discrepancy function can be defined with respect to intervals of the form $[0,t)\subset [0,1)$ or arbitrary…