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In this article our main object of investigation is the simple modular density ideals $\mathcal{Z}_g(f)$ introduced in [Bose et al., Indag. math., 2018] where $g$ is a weight function, more precisely, $g\in G$, $G=\{g:\omega \to…
Let $G$ consist of all functions $g \colon \omega \to [0,\infty)$ with $g(n) \to \infty$ and $\frac{n}{g(n)} \nrightarrow 0$. Then for each $g\in G$ the family $\mathcal{Z}_g=\{A\subseteq\omega:\ \lim_{n\to\infty}\frac{\text{card}(A\cap…
This article addresses a fundamental problem faced by the ab initio community: the lack of an effective formalism for the rapid exploration and exchange of new methods. To rectify this, we introduce a novel, basis-set independent,…
We study normal reflection subgroups of complex reflection groups. Our approach leads to a refinement of a theorem of Orlik and Solomon to the effect that the generating function for fixed-space dimension over a reflection group is a…
In a recent article a generalization of the binomial distribution associated with a sequence of positive numbers was examined. The analysis of the nonnegativeness of the formal expressions was a key-point to allow to give them a statistical…
This work introduces and investigates the function $J(G) = \frac{\text{Nil}(G)}{L(G)}$, where $\text{Nil}(G)$ denotes the number of nilpotent subgroups and $L(G)$ the total number of subgroups of a finite group $G$. The function $J(G)$,…
Let ${\mathcal F}_I=\{f:I \to I| f(x)= (Ax+B)/(Cx+D); AD-BC \neq 0 \}$, where $I$ is an interval. For $x\in I$, let ${\Omega}_x$ be the orbit of $x$ under the action of the semigroup of functions generated by $f,g \in {\mathcal F}_I$. Our…
Estimation of density functions supported on general domains arises when the data is naturally restricted to a proper subset of the real space. This problem is complicated by typically intractable normalizing constants. Score matching…
We study normal reflection subgroups of complex reflection groups. Our point of view leads to a refinement of a theorem of Orlik and Solomon to the effect that the generating function for fixed-space dimension over a reflection group is a…
We present new types of regularity for nonlinear generalized functions, based on the notion of regular growth with respect to the regularizing parameter of Colombeau's simplified model. This generalizes the notion of G^{\infty }-regularity…
Let $d$ be a positive integer and $\mathbb H$ be an integrally closed subring of a global function field $F$. The purpose of this paper is to provide a general sieve method to compute densities of subsets of $\mathbb H^d$ defined by local…
The Jacob's ladder of density functional theory (DFT) proposes the compelling view that by extending the form of successful approximations -- being guided by exact conditions and selected (least empirical) norms -- upper rungs will do…
This paper provides a mean value theorem for arithmetic functions $f$ defined by $$f(n)=\prod_{d|n}g(d),$$ where $g$ is an arithmetic function taking values in $(0, 1]$ and satisfying some generic conditions. As an application of our main…
In this paper we introduce and study the notion of dynamical forcing. Basically, we develop a toolkit of techniques to produce finitely presented groups which can only act on the circle with certain prescribed dynamical properties. As an…
We prove the existence of HK density function for a pair $(R, I)$, where $R$ is a ${\mathbb N}$-graded domain of finite type over a perfect field and $I\subset R$ is a graded ideal of finite colength. This generalizes our earlier result…
We formulate and implement Cyclic Density Functional Theory (Cyclic DFT) -- a self-consistent first principles simulation method for nanostructures with cyclic symmetries. Using arguments based on Group Representation Theory, we rigorously…
Density-functional theory is a formally exact description of a many-body quantum system in terms of its density; in practice, however, approximations to the universal density functional are required. In this work, a model based on deep…
We define an integral, the distributional integral of functions of one real variable, that is more general than the Lebesgue and the Denjoy-Perron-Henstock-Kurzweil integrals, and which allows the integration of functions with…
A further significant extension is presented of the infinitely large class of differential algebras of generalized functions which are the basic structures in the nonlinear algebraic theory listed under 46F30 in the AMS Mathematical Subject…
This work has been motivated by recent papers that quantify the density of values of generic quadratic forms and other polynomials at integer points, in particular ones that use Rogers' second moment estimates. In this paper we establish…