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The advent of the Hohenberg-Kohn theorem in 1964, its extension to finite-T, Kohn-Sham theory, and relativistic extensions provide the well-established formalism of density-functional theory (DFT). This theory enables the calculation of all…

Let $Y$ be a compact metric space, $G$ be a group acting by transformations on $Y$. For any infinite subset $A\subset Y$, we study the density of $gA$ for $g\in G$ and quantitative density of the set $\displaystyle{\bigcup_{g\in G_n}gA}$ by…

For a simply-connected compact semisimple Lie group $G$ and its maximal torus $T$, we study the $A_{\infty}$-functor associated to the moment Lagrangian correspondence from the cotangent bundle $T^*G$ to the square $G/T^{-} \times G/T$. In…

Let $\phi^t$ be a continuous flow on a metric space $X$ and $I$ be an isolated invariant set with an index pair $(N,L)$ and a Morse decomposition $\{M_i\}^n_{i=1}$. For every category $\nu$ on $N/L$, we prove that $\nu(N/L)\leq…

We prove that if $\mu$ is a Radon measure on the Heisenberg group $\mathbb{H}^n$ such that the density $\Theta^s(\mu,\cdot)$, computed with respect to the Kor\'anyi metric $d_H$, exists and is positive and finite on a set of positive $\mu$…

We show that a necessary and sufficient condition for a smooth function on the tangent bundle of a manifold to be a Lagrangian density whose action can be minimized is, roughly speaking, that it be the sum of a constant, a nonnegative…

We compare the behavior of the finite-temperature Hartree-Fock model with that of thermal density functional theory using both ground-state and temperature-dependent approximate exchange functionals. The test system is bcc Li in the…

We had shown earlier that for a standard graded ring $R$ and a graded ideal $I$ in characteristic $p>0$, with $\ell(R/I) <\infty$, there exists a compactly supported continuous function $f_{R, I}$ whose Riemann integral is the HK…

This paper is devoted to show that the flatness of tangents of $1$-codimensional measures in Carnot Groups implies $C^1_\mathbb{G}$-rectifiability. As applications we prove that measures with $(2n+1)$-density in the Heisenberg groups…

To go beyond Gaussian approximation to the Hohenberg-Kohn free energy playing the key role in the density functional theory (DFT), the density functional \textit{integral} representation would be relevant, because field theoretical approach…

The paper shows that for any $G_\delta$ set $F$ of Lebesgue measure zero on the unit circle $T$ there exists a function $f \in H^{\infty}$ such that the radial limits of $f$ exist at each point of $T$ and vanish precisely on $F$. This…

For a compact connected set $X\subseteq \ell^{\infty}$, we define a quantity $\beta'(x,r)$ that measures how close $X$ may be approximated in a ball $B(x,r)$ by a geodesic curve. We then show there is $c>0$ so that if $\beta'(x,r)>\beta>0$…

Some properties of $m$-density points and density-degree functions are studied. Moreover the following main results are provided: \vskip2mm \begin{itemize} \item {\it Let $\lambda$ be a continuous differential form of degree $h$ in…

Let $(R,\mathfrak m)$ be an analytically unramified local ring of positive prime characteristic $p.$ For an ideal $I$, let $I^*$ denote its tight closure. We introduce the tight Hilbert function $H^*_I(n)=\ell(R/(I^n)^*)$ and the…

It is shown here that Kohn-Sham equations cannot be derived from Hohenberg-Kohn theory without an additional postulate. Assuming that a functional derivative with respect to total electron density exists leads in general to a theory…

We present results showing an improvement of the accuracy of perturbation theory as applied to cosmological structure formation for a useful range of quasilinear scales. The Lagrangian theory of gravitational instability of an Einstein-de…

In this paper, we prove some compactness theorems of Myers, Ambrose, and Galloway for complete Riemannian manifold in the concept of $h$-almost Ricci tensors and generalized quasi-Einstein tensors. Also, we extend the previous theorems when…

We describe how density-functional theory, well-known for its many uses in ab initio calculations of electronic structure, can be used to study the ground state of inhomogeneous model Hamiltonians. The basic ideas and concepts are discussed…

In this paper, we prove some new thickness theorems with partial derivatives. We give some applications. First, we give a simple criterion that can judge whether two scaled Cantor sets have non-empty intersection. Second, we prove under…

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…