Enhanced and generalized one–step Neville algorithm: Fractional powers and access to the convergence rate

IF 7.2 2区 物理与天体物理 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS Computer Physics Communications Pub Date : 2024-06-12 DOI:10.1016/j.cpc.2024.109280
Ulrich D. Jentschura , Ludovico T. Giorgini
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Abstract

The recursive Neville algorithm allows one to calculate interpolating functions recursively. Upon a judicious choice of the abscissas used for the interpolation (and extrapolation), this algorithm leads to a method for convergence acceleration. For example, one can use the Neville algorithm in order to successively eliminate inverse powers of the upper limit of the summation from the partial sums of a given, slowly convergent input series. Here, we show that, for a particular choice of the abscissas used for the extrapolation, one can replace the recursive Neville scheme by a simple one-step transformation, while also obtaining access to subleading terms for the transformed series after convergence acceleration. The matrix-based, unified formulas allow one to estimate the rate of convergence of the partial sums of the input series to their limit. In particular, Bethe logarithms for hydrogen are calculated to 100 decimal digits. Generalizations of the method to series whose remainder terms can be expanded in terms of inverse factorial series, or series with half-integer powers, are also discussed.

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增强和广义的一步内维尔算法:分数幂和收敛率的获取
递归内维尔算法允许人们递归计算插值函数。只要明智地选择用于内插(和外推)的abscissas,该算法就能提供一种加速收敛的方法。例如,我们可以使用内维尔算法从给定的缓慢收敛输入数列的部分和中连续消除求和上限的反幂。在这里,我们展示了对于用于外推法的abscissas的特定选择,我们可以用简单的一步变换来取代递归内维尔方案,同时还能在收敛加速后获得变换后序列的次导项。通过基于矩阵的统一公式,我们可以估算出输入序列的部分和对其极限的收敛速度。特别是,氢气的贝特对数可以计算到小数点后 100 位。此外,还讨论了将该方法推广到余项可以用反阶乘数列或半整数幂数列展开的数列。
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来源期刊
Computer Physics Communications
Computer Physics Communications 物理-计算机:跨学科应用
CiteScore
12.10
自引率
3.20%
发文量
287
审稿时长
5.3 months
期刊介绍: The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper. Computer Programs in Physics (CPiP) These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged. Computational Physics Papers (CP) These are research papers in, but are not limited to, the following themes across computational physics and related disciplines. mathematical and numerical methods and algorithms; computational models including those associated with the design, control and analysis of experiments; and algebraic computation. Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.
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