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The auxiliary functions provide efficient computation of integrals arising at the self-consistent field (SCF) level for molecules using Slater-type bases. This applies both in relativistic and non-relativistic electronic structure theory.…

Chemical Physics · Physics 2017-11-29 A. Bagci , P. E. Hoggan

Orthogonal systems in $\mathrm{L}_2(\mathbb{R})$, once implemented in spectral methods, enjoy a number of important advantages if their differentiation matrix is skew-symmetric and highly structured. Such systems, where the differentiation…

Numerical Analysis · Mathematics 2019-11-14 Arieh Iserles , Marcus Webb

In this paper, the generalized fractional integral operators of two generalized Mittag-Leffler type functions are investigated. The special cases of interest involve the generalized Fox--Wright function and the generalized M-series and…

Classical Analysis and ODEs · Mathematics 2017-03-22 Christian Lavault

Convergence of diagonal Pad\'e approximants is studied for a class of functions which admit the integral representation $ {\mathfrak F}(\lambda)=r_1(\lambda)\int_{-1}^1\frac{td\sigma(t)}{t-\lambda}+r_2(\lambda), $ where $\sigma$ is a finite…

Classical Analysis and ODEs · Mathematics 2009-05-22 Maxim Derevyagin , Vladimir Derkach

Approximate $p$-point Leibniz derivation formulas as well as interpolatory Simpson quadrature sums adapted to oscillatory functions are discussed. Both theoretical considerations and numerical evidence concerning the dependence of the…

Numerical Analysis · Mathematics 2009-10-31 Gh. Adam , S. Adam

One commonly finds in applications of smooth radial basis functions (RBFs) that scaling the kernels so they are `flat' leads to smaller discretization errors. However, the direct numerical approach for computing with flat RBFs (RBF-Direct)…

Numerical Analysis · Mathematics 2017-01-04 Grady B. Wright , Bengt Fornberg

The main object of this paper is to present a new generalized beta function which defined by three parametres Mittag-Leffler function. We also introduce new generalizations of hypergeometric and confluent hypergeometric functions with the…

Classical Analysis and ODEs · Mathematics 2018-03-09 Muhammed Ay

We describe an algorithm for arbitrary-precision computation of the elementary functions (exp, log, sin, atan, etc.) which, after a cheap precomputation, gives roughly a factor-two speedup over previous state-of-the-art algorithms at…

Numerical Analysis · Mathematics 2022-07-07 Fredrik Johansson

The exponential function maps the imaginary axis to the unit circle and, for many applications, this unitarity property is also desirable from its approximations. We show that this property is conserved not only by the (k,k)-rational…

Numerical Analysis · Mathematics 2023-08-30 Tobias Jawecki , Pranav Singh

We present an \emph{Effective Static Approximation} (ESA) to the local field correction (LFC) of the electron gas that enables highly accurate calculations of electronic properties like the dynamic structure factor $S(q,\omega)$, the static…

We consider the numerical approximation of $f({\cal A})b$ where $b\in{\mathbb R}^{N}$ and $\cal A$ is the sum of Kronecker products, that is ${\cal A}=M_2 \otimes I + I \otimes M_1\in{\mathbb R}^{N\times N}$. Here $f$ is a regular function…

Numerical Analysis · Mathematics 2015-03-10 Michele Benzi , Valeria Simoncini

In this work we discuss the problem of selecting suitable approximators from families of parameterized elementary functions that are known to be dense in a Hilbert space of functions. We consider and analyze published procedures, both…

Numerical Analysis · Computer Science 2016-09-01 Alexander N. Gorban , Ivan Yu. Tyukin , Danil V. Prokhorov , Konstantin I. Sofeikov

Kurokawa and Koyama's multiple cosine function $\mathcal{C}_{r}(x)$ and Kurokawa's multiple sine function $S_{r}(x)$ are generalizations of the classical cosine and sine functions from their infinite product representations, respectively.…

Number Theory · Mathematics 2025-01-14 Su Hu , Min-Soo Kim

By studying the spectral aspects of the fractional part function in a well-known separable Hilbert space, we show, among other things, a rational approximation of the Riemann zeta function and its derivatives valid on every vertical line in…

Number Theory · Mathematics 2022-09-28 Lahoucine Elaissaoui

In this paper, we introduce the new construction of fractional derivatives and integrals with respect to a function, based on a matrix approach. We believe that this is a powerful tool in both analytical and numerical calculations. We begin…

Numerical Analysis · Mathematics 2025-12-12 V. N. Kolokoltsov , E. L. Shishkina

The weights $W_\alpha(x)=\exp{(-|x|^{\alpha})}$ $(\alpha>1)$ form a subclass of Freud weights on the real line. Primarily from a functional analytic angle, we investigate the subspace of $L_2(\mathbb R, W_\alpha^2(x)\,dx)$ consisting of…

Classical Analysis and ODEs · Mathematics 2023-05-31 Rui Xie , Marcel de Jeu

In reaction rate theory, in production-destruction type models and in reaction-diffusion problems when the total derivatives are replaced by fractional derivatives the solutions are obtained in terms of Mittag-Leffler functions and their…

Statistical Mechanics · Physics 2009-06-02 A. M. Mathai , H. J. Haubold

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

We consider functions $f$ of two real variables, given as trigonometric functions over a finite set $F$ of frequencies. This set is assumed to be closed under rotations in the frequency plane of angle $\frac{2k\pi}{M}$ for some integer $M$.…

Numerical Analysis · Mathematics 2016-12-02 Jean-Paul Gauthier , Dario Prandi

By application of the theory for second-order linear differential equations with two turning points developed in [Olver F.W.J., Philos. Trans. Roy. Soc. London Ser. A 278 (1975), 137-174], uniform asymptotic approximations are obtained in…

Classical Analysis and ODEs · Mathematics 2015-11-25 Karen Ogilvie , Adri B. Olde Daalhuis