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N. M. Temme

Publications and source records attributed to N. M. Temme.

At least 19 recordsLinked to original sources

Fast and accurate computation of classical Gaussian quadratures

Algorithms for computing the classical Gaussian quadrature rules (Gauss--Jacobi, Gauss--Laguerre, and Gauss--Hermite) are presented, based on globally convergent fourth-order iterative methods combined with asymptotic approximations, which are applied in complementary regions of the parameter space. This approach yields methods that improve upon existing algorithms in speed, accuracy, and computational range. The MATLAB algorithm for Gauss--Jacobi is faster than previous methods and lifts the upper restrictions on the parameters imposed by those methods ($α,β\le 5$); for example, for degrees up to $10^6$ all nodes and weights can be computed within the underflow limit for $-1<α,β\le 30$, and the computable range of parameters is much larger for smaller degrees, limited only by intrinsic overflow/underflow constraints. For the particular case of Gauss--Legendre quadrature ($α=β=0$), a specific asymptotic approach is considered, which yields the most efficient MATLAB implementation available so far. The Gauss--Laguerre and Gauss--Hermite algorithms incorporate subsampling, and scaling is also available in order to extend the computational range. Gauss--Radau and Gauss--Lobatto variants are also considered, along with the computation of the associated barycentric weights. Additionally, arbitrary-precision algorithms (in Maple) are offered for the symmetric cases (Gauss--Gegenbauer and Gauss--Hermite), which can be used to compute thousands of nodes with hundreds of digits in a matter of seconds.

math.NA

Asymptotic expansions of Kummer hypergeometric functions with three asymptotic parameters $a$, $b$ and $z$

In a recent paper \cite{Temme:2021:AKH} new asymptotic expansions are given for the Kummer functions $M(a,b,z)$ and $U(a,b+1,z)$ for large positive values of $a$ and $b$, with $z$ fixed and special attention for the case $a\sim b$. In this paper we extend the approach and also accept large values of $z$. The new expansions are valid when at least one of the parameters $a$, $b$, or $z$ is large. We provide numerical tables to show the performance of the expansions.

math.CA

Complete asymptotic expansions for the relativistic Fermi-Dirac integral

Fermi-Dirac integrals appear in problems in nuclear astrophysics, solid state physics or in the fundamental theory of semiconductor modeling, among others areas of application. In this paper, we give new and complete asymptotic expansions for the relativistic Fermi-Dirac integral. These expansions could be useful to obtain a correct qualitative understanding of Fermi systems. The performance of the expansions is illustrated with numerical examples.

math.CA

Fast and reliable high accuracy computation of Gauss--Jacobi quadrature

Iterative methods with certified convergence for the computation of Gauss--Jacobi quadratures are described. The methods do not require a priori estimations of the nodes to guarantee its fourth-order convergence. They are shown to be generally faster than previous methods and without practical restrictions on the range of the parameters. The evaluation of the nodes and weights of the quadrature is exclusively based on convergent processes which, together with the fourth order convergence of the fixed point method for computing the nodes, makes this an ideal approach for high accuracy computations, so much so that computations of quadrature rules with even millions of nodes and thousands of digits are possible in a typical laptop.

math.NA

Asymptotic computation of classical orthogonal polynomials

The classical orthogonal polynomials (Hermite, Laguerre and Jacobi) are involved in a vast number of applications in physics and engineering. When large degrees $n$ are needed, the use of recursion to compute the polynomials is not a good strategy for computation and a more efficient approach, such as the use of asymptotic expansions,is recommended. In this paper, we give an overview of the asymptotic expansions considered in [8] for computing Laguerre polynomials $L^{(α)}_n(x)$ for bounded values of the parameter $α$. Additionally, we show examples of the computational performance of an asymptotic expansion for $L^{(α)}_n(x)$ valid for large values of $α$ and $n$. This expansion was used in [6] as starting point for obtaining asymptotic approximations to the zeros. Finally, we analyze the expansions considered in [9], [10] and [11] to compute the Jacobi polynomials for large degrees $n$.

math.CA

Asymptotic inversion of the binomial and negative binomial cumulative distribution functions

The computation and inversion of the binomial and negative binomial cumulative distribution functions play a key role in many applications. In this paper, we explain how methods used for the central beta distribution function (described in [2]) can be used to obtain asymptotic representations of these functions, and also for their inversion. The performance of the asymptotic inversion methods is illustrated with numerical examples.

math.CA

Fast, reliable and unrestricted iterative computation of Gauss--Hermite and Gauss--Laguerre quadratures

Methods for the computation of classical Gaussian quadrature rules are described which are effective both for small and large degree. These methods are reliable because the iterative computation of the nodes has guaranteed convergence, and they are fast due to their fourth-order convergence and its asymptotic exactness for an appropriate selection of the variables. For Gauss--Hermite and Gauss--Laguerre quadratures, local Taylor series can be used for computing efficiently the orthogonal polynomials involved, with exact initial values for the Hermite case and first values computed with a continued fraction for the Laguerre case. The resulting algorithms have almost unrestricted validity with respect to the parameters. Full relative precision is reached for the Hermite nodes, without any accuracy loss and for any degree, and a mild accuracy loss occurs for the Hermite and Laguerre weights as well as for the Laguerre nodes. These fast methods are exclusively based on convergent processes, which, together with the high order of convergence of the underlying iterative method, makes them particularly useful for high accuracy computations. We show examples of very high accuracy computations (of up to $1000$ digits of accuracy).

math.NA

On the computation and inversion of the cumulative noncentral beta distribution function

The computation and inversion of the noncentral beta distribution $B_{p,q}(x,y)$ (or the noncentral $F$-distribution, a particular case of $B_{p,q}(x,y)$) play an important role in different applications. In this paper we study the stability of recursions satisfied by $B_{p,q}(x,y)$ and its complementary function and describe asymptotic expansions useful for computing the function when the parameters are large. We also consider the inversion problem of finding $x$ or $y$ when a value of $B_{p,q}(x,y)$ is given. We provide approximations to $x$ and $y$ which can be used as starting values of methods for solving nonlinear equations (such as Newton) if higher accuracy is needed.

math.CA

Asymptotic approximations to the nodes and weights of Gauss-Hermite and Gauss-Laguerre quadratures

Asymptotic approximations to the zeros of Hermite and Laguerre polynomials are given, together with methods for obtaining the coefficients in the expansions. These approximations can be used as a standalone method of computation of Gaussian quadratures for high enough degrees, with Gaussian weights computed from asymptotic approximations for the orthogonal polynomials. We provide numerical evidence showing that for degrees greater than $100$ the asymptotic methods are enough for a double precision accuracy computation ($15$-$16$ digits) of the nodes and weights of the Gauss--Hermite and Gauss--Laguerre quadratures.

math.CA

Entropic uncertainty measures for large dimensional hydrogenic systems

The entropic moments of the probability density of a quantum system in position and momentum spaces describe not only some fundamental and/or experimentally accessible quantities of the system, but also the entropic uncertainty measures of Rényi type which allow one to find the most relevant mathematical formalizations of the position-momentum Heisenberg's uncertainty principle, the entropic uncertainty relations. It is known that the solution of difficult three-dimensional problems can be very well approximated by a series development in $1/D$ in similar systems with a non-standard dimensionality $D$; moreover, several physical quantities of numerous atomic and molecular systems have been numerically shown to have values in the large-$D$ limit comparable to the corresponding ones provided by the three-dimensional numerical self-consistent field methods. The $D$-dimensional hydrogenic atom is the main prototype of the physics of multidimensional many-electron systems. In this work we rigorously determine the leading term of the Rényi entropies of the $D$-dimensional hydrogenic atom at the limit of large $D$. As a byproduct, we show that our results saturate the known position-momentum Rényi-entropy-based uncertainty relations.

quant-ph

Entropic functionals of Laguerre and Gegenbauer polynomials with large parameters

The determination of the physical entropies (Rényi, Shannon, Tsallis) of high-dimensional quantum systems subject to a central potential requires the knowledge of the asymptotics of some power and logarithmic integral functionals of the hypergeometric orthogonal polynomials which control the wavefunctions of the stationary states. For the $D$-dimensional hydrogenic and oscillator-like systems, the wavefunctions of the corresponding bound states are controlled by the Laguerre ($\mathcal{L}_{m}^{(α)}(x)$) and Gegenbauer ($\mathcal{C}^{(α)}_{m}(x)$) polynomials in both position and momentum spaces, where the parameter $α$ linearly depends on $D$. In this work we study the asymptotic behavior as $α\to \infty$ of the associated entropy-like integral functionals of these two families of hypergeometric polynomials.

math-ph

Conical: an extended module for computing a numerically satisfactory pair of solutions of the differential equation for conical functions

Conical functions appear in a large number of applications in physics and engineering. In this paper we describe an extension of our module CONICAL for the computation of conical functions. Specifically, the module includes now a routine for computing the function ${\rm R}^{m}_{-\frac{1}{2}+iτ}(x)$, a real-valued numerically satisfactory companion of the function ${\rm P}^m_{-\tfrac12+iτ}(x)$ for $x>1$. In this way, a natural basis for solving Dirichlet problems bounded by conical domains is provided.

cs.MS

Efficient computation of Laguerre polynomials

An efficient algorithm and a Fortran 90 module (LaguerrePol) for computing Laguerre polynomials $L^{(α)}_n(z)$ are presented. The standard three-term recurrence relation satisfied by the polynomials and different types of asymptotic expansions valid for $n$ large and $α$ small, are used depending on the parameter region. Based on tests of contiguous relations in the parameter $α$ and the degree $n$ satisfied by the polynomials, we claim that a relative accuracy close or better than $10^{-12}$ can be obtained using the module LaguerrePol for computing the functions $L^{(α)}_n(z)$ in the parameter range $z \ge 0$, $-1 < α\le 5$, $n \ge 0$.

math.NA

Computation of the incomplete gamma function for negative values of the argument

An algorithm for computing the incomplete gamma function $γ^*(a,z)$ for real values of the parameter $a$ and negative real values of the argument $z$ is presented. The algorithm combines the use of series expansions, Poincaré-type expansions, uniform asymptotic expansions and recurrence relations, depending on the parameter region. A relative accuracy $\sim 10^{-13}$ in the parameter region $(a,z) \in [-500,\,500] \times [-500,\,0)$ can be obtained when computing the function $γ^*(a,z)$ with the Fortran 90 module IncgamNEG implementing the algorithm.

cs.MS

Efficient algorithms for the inversion of the cumulative central beta distribution

Accurate and efficient algorithms for the inversion of the cumulative central beta distribution are described. The algorithms are based on the combination of a fourth-order fixed point method with good non-local convergence properties (the Schwarzian-Newton method), asymptotic inversion methods and sharp bounds in the tails of the distribution function.

math.NA

Computing the Kummer function U(a,b,z) for small values of the arguments

We describe methods for computing the Kummer function $U(a,b,z)$ for small values of $z$, with special attention to small values of $b$. For these values of $b$ the connection formula that represents $U(a,b,z)$ as a linear combination of two ${}_1F_1$-functions needs a limiting procedure. We use the power series of the ${}_1F_1$-functions and consider the terms for which this limiting procedure is needed. We give recursion relations for higher terms in the expansion, and we consider the derivative $U^\prime(a,b,z)$ as well. We also discuss the performance for small $\vert z\vert$ of an asymptotic approximation of the Kummer function in terms of modified Bessel functions.

math.CA

GammaCHI: a package for the inversion and computation of the gamma and chi-square cumulative distribution functions (central and noncentral)

A Fortran 90 module (GammaCHI) for computing and inverting the gamma and chi-square cumulative distribution functions (central and noncentral) is presented. The main novelty of this package are the reliable and accurate inversion routines for the noncentral cumulative distribution functions. Additionally, the package also provides routines for computing the gamma function, the error function and other functions related to the gamma function. The module includes the routines cdfgamC, invcdfgamC, cdfgamNC, invcdfgamNC, errorfunction, inverfc, gamma, loggam, gamstar and quotgamm for the computation of the central gamma distribution function (and its complementary function), the inversion of the central gamma distribution function, the computation of the noncentral gamma distribution function (and its complementary function), the inversion of the noncentral gamma distribution function, the computation of the error function and its complementary function, the inversion of the complementary error function, the computation of: the gamma function, the logarithm of the gamma function, the regulated gamma function and the ratio of two gamma functions, respectively.

cs.MS

The asymptotic and numerical inversion of the Marcum $Q-$function

The generalized Marcum functions appear in problems of technical and scientific areas such as, for example, radar detection and communications. In mathematical statistics and probability theory these functions are called the noncentral gamma or the noncentral chi-squared cumulative distribution functions. In this paper we describe a new asymptotic method for inverting the generalized Marcum $Q-$function and for the complementary Marcum $P-$function. Also, we show how monotonicity and convexity properties of these functions can be used to find initial values for reliable Newton or secant methods to invert the function. We present details of numerical computations that show the reliability of the asymptotic approximations.

math.CA