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We introduce a class of interatomic potential models that can be automatically generated from data consisting of the energies and forces experienced by atoms, derived from quantum mechanical calculations. The resulting model does not have a…

Computational Physics · Physics 2015-05-14 Albert P. Bartók , Mike C. Payne , Risi Kondor , Gábor Csányi

We present a new simple algorithm for efficient, and relatively accurate computation of the Faddeyeva function w(z). The algorithm carefully exploits previous approximations by Hui et al [1978] and Humlicek [1982] along with asymptotic…

Instrumentation and Methods for Astrophysics · Physics 2017-11-16 Mofreh R. Zaghloul

In this paper, we continue to study properties of rational approximations to Euler's constant and values of the Gamma function defined by linear recurrences, which were found recently by A. I. Aptekarev and T. Rivoal. Using multiple…

Number Theory · Mathematics 2012-06-21 Khodabakhsh Hessami Pilehrood , Tatiana Hessami Pilehrood

Using geometric considerations, we provide a clear derivation of the integral representation for the error function, known as the Craig formula. We calculate the corresponding power series expansion and prove the convergence. The same…

Data Analysis, Statistics and Probability · Physics 2023-06-16 Dmitri Martila , Stefan Groote

We define an absolutely convergent series for the upper incomplete Gamma function $\Gamma(s,z)$ for $z\geq 1$ and $s\in \mathbb{C}$. We express this series using certain polynomials which we define using the Stirling numbers of the first…

Combinatorics · Mathematics 2019-09-17 Mario DeFranco

In this paper the incomplete gamma function $\gamma(\alpha,x)$ and its derivative is considered for negative values of $\alpha $ and the incomplete gamma type function $\gamma_*(\alpha,x_-)$ is introduced. Further the polygamma functions…

Classical Analysis and ODEs · Mathematics 2014-07-02 Emin Özçağ , İnci Ege

This paper gives some results for the logarithm of the Riemann zeta-function and its iterated integrals. We obtain a certain explicit approximation formula for these functions. The formula has some applications, which are related with the…

Number Theory · Mathematics 2019-12-11 Shōta Inoue

Given a locally finite graph $\Gamma$, an amenable subgroup $G$ of graph automorphisms acting freely and almost transitively on its vertices, and a $G$-invariant activity function $\lambda$, consider the free energy $f_G(\Gamma,\lambda)$ of…

Probability · Mathematics 2023-03-02 Raimundo Briceño

We give simple numerical bounds for $\zeta(s)$, $\vartheta(s)$, $\mathop{\mathcal R}(s)$, $Z(t)$, for use in the numerical computation of these functions. The purpose of the paper is to give bounds for several functions needed in the…

Number Theory · Mathematics 2024-07-10 Juan Arias de Reyna

We describe an algorithm to evaluate all the complex branches of the Lambert W function with rigorous error bounds in interval arithmetic, which has been implemented in the Arb library. The classic 1996 paper on the Lambert W function by…

Mathematical Software · Computer Science 2017-05-10 Fredrik Johansson

We develop a practical algorithm to decide whether a finitely generated subgroup of a solvable algebraic group $G$ is arithmetic. This incorporates a procedure to compute a generating set of an arithmetic subgroup of $G$. We also provide a…

Group Theory · Mathematics 2019-05-13 W. A. de Graaf , A. S. Detinko , D. L. Flannery

The primary purpose of this article is to study the asymptotic and numerical estimates in detail for higher degree polynomials in $\pi(x)$ having a general expression of the form, \begin{align*} P(\pi(x)) - \frac{e x}{\log x} Q(\pi(x/e)) +…

General Mathematics · Mathematics 2024-08-20 Subham De

Let $A$ be a square complex matrix; $z_1$, ..., $z_{N}\in\mathbb C$ be arbitrary (possibly repetitive) points of interpolation; $f$ be an analytic function defined on a neighborhood of the convex hull of the union of the spectrum…

Numerical Analysis · Mathematics 2021-08-05 M. Ferus , V. G. Kurbatov , I. V. Kurbatova

A new algorithm to calculate Coulomb wave functions with all of its arguments complex is proposed. For that purpose, standard methods such as continued fractions and power/asymptotic series are combined with direct integrations of the…

Computational Physics · Physics 2009-11-13 N. Michel

We derive explicit upper bounds for various functions counting primes in arithmetic progressions. By way of example, if $q$ and $a$ are integers with $\gcd(a,q)=1$ and $3 \leq q \leq 10^5$, and $\theta(x;q,a)$ denotes the sum of the…

Number Theory · Mathematics 2018-11-29 Michael A. Bennett , Greg Martin , Kevin O'Bryant , Andrew Rechnitzer

Modern large-scale statistical models require to estimate thousands to millions of parameters. This is often accomplished by iterative algorithms such as gradient descent, projected gradient descent or their accelerated versions. What are…

Machine Learning · Statistics 2020-03-04 Michael Celentano , Andrea Montanari , Yuchen Wu

In this paper we provide a new series representation for the values of Riemann zeta function at integer arguments, namely: $ \zeta(m)=\sum_{n=1}^{\infty}\frac{m(-1)^{n-1}\Gamma(1-\omega_{m}n)...\Gamma(1-\omega_{m}^{m-1}n)}{n!n^m}$, where…

Number Theory · Mathematics 2021-01-19 Xiaowei Wang

We present an algorithm for the numerical evaluation of elliptic multiple polylogarithms for arbitrary arguments and to arbitrary precision. The cornerstone of our approach is a procedure to obtain a convergent $q$-series representation of…

High Energy Physics - Phenomenology · Physics 2026-02-11 Claude Duhr , Florian Lorkowski , Robin Marzucca , Sofia Mauc , Stefan Weinzierl

The lambda calculus since more than half a century is a model and foundation of functional programming languages. However, lambda expressions can be evaluated with different reduction strategies and thus, there is no fixed cost model nor…

Programming Languages · Computer Science 2024-05-22 Tomasz Drab

We introduce a $p$-adic analogue of the incomplete gamma function. We also introduce quantities ($m$-values) associated to a function on natural numbers and prove a new characterization of $p$-adic continuity for functions with $p$-integral…

Number Theory · Mathematics 2023-03-07 Andrew O'Desky , David Harry Richman