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Density functional theory (DFT) has become a basic tool for the study of electronic structure of matter, in which the Hohenberg-Kohn theorem plays a fundamental role in the development of DFT. Unfortunately, the existing proofs are…

We consider the problem of estimating the s-th derivative of a density function f by the tilted Kernel estimator introduced in Hall and Doosti (2012). Then we further show this estimator achieves the same convergence rate, in probability,…

The formalism of Kohn and Sham uses a specific (model) hamiltonian which highly simplifies the many-electron problem to that of noninteracting fermions. The theorem of Hohenberg and Kohn tells us that, for a given ground state density, this…

We prove Hilbert transform identities involving conformal maps via the use of Rellich identity and the solution of the Neumann problem in a graph Lipschitz domain in the plane. We obtain as consequences new $L^2$-weighted estimates for the…

We present an accurate and efficient framework for real-space Hubbard-corrected density functional theory. In particular, we obtain expressions for the energy, atomic forces, and stress tensor suitable for real-space finite-difference…

In this paper we construct such a set of `degenerate' Hamiltonians $\hat{H}$, which differ by an `intrinsic' constant but represent different physical systems yet possess the same ground state density. . Thus, although the proof of…

Let $f$ be a Paley-Wiener function in the space $L_{2}(X)$, where $X$ is a symmetric space of noncompact type. It is shown that by using the values of $f$ on a sufficiently dense and separated set of points of $X$ one can give an exact…

Recently, Hohenstein et al[1] introduced tensor hypercontraction density fitting to decompose the rank-4 electron repulsion integral tensor as the product of five rank-2 tensors. In this paper, we use this methodology to construct an…

Using elementary arguments based on the Fourier transform we prove that for $1 \leq q < p < \infty$ and $s \geq 0$ with $s > n(1/2-1/p)$, if $f \in L^{q,\infty}(\R^n) \cap \dot{H}^s(\R^n)$ then $f \in L^p(\R^n)$ and there exists a constant…

In the first part of the paper a general notion of sampling expansions for locally compact groups is introduced, and its close relationship to the discretisation problem for generalised wavelet transforms is established. In the second part,…

We characterise rectifiable subsets of a complete metric space $X$ in terms of local approximation, with respect to the Gromov--Hausdorff distance, by an $n$-dimensional Banach space. In fact, if $E\subset X$ with $\mathcal{H}^n(E)<\infty$…

We use weighted polynomial approximation to prove the existence of a compact set K with non-empty interior and a function f is dense in the space A(K) of all continuous functions on K that are holomorphic in the interior of K, endowed with…

Let $(X_i)_{i\geq 1}$ be an i.i.d. sample on $\RRR^d$ having density $f$. Given a real function $\phi$ on $\RRR^d$ with finite variation and given an integer valued sequence $(j_n)$, let $\fn$ denote the estimator of $f$ by wavelet…

In this paper, we study the John-Nirenberg inequality for BMO and the atomic decomposition for H1 of noncommutative martingales. We first establish a crude version of the column (resp. row) John-Nirenberg inequality for all 0 < p < \infty.…

We prove a version of the implicit function theorem for Lipschitz mappings $f:\mathbb{R}^{n+m}\supset A \to X$ into arbitrary metric spaces. As long as the pull-back of the Hausdorff content $\mathcal{H}_{\infty}^n$ by $f$ has positive…

Recently, a generalized gravity theory was proposed by Harko etal where the Lagrangian density is an arbitrary function of the Ricci scalar R and the trace of the stress-energy tensor T, known as F(R,T) gravity. In their derivation of the…

For a pair $(R, I)$, where $R$ is a standard graded domain of dimension $d$ over an algebraically closed field of characteristic $0$ and $I$ is a graded ideal of finite colength, we prove that the existence of $\lim_{p\to \infty}e_{HK}(R_p,…

The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review…

Let H be a separable Hilbert space with a fixed orthonormal basis (e_n), n>=1, and B(H) be the full von Neumann algebra of the bounded linear operators T: H -> H. Identifying l^\infty = C(\beta N) with the diagonal operators, we consider…

It is known that functions in a Sobolev space with critical exponent embed into the space of functions of bounded mean oscillation, and therefore satisfy the John-Nirenberg inequality and a corresponding exponential integrability estimate.…