arXiv subjects

Ernst Joachim Weniger

Publications and source records attributed to Ernst Joachim Weniger.

22 records · Page 2Linked to original sources

arXiv2001

Nonlinear Sequence Transformations: Computational Tools for the Acceleration of Convergence and the Summation of Divergent Series

Convergence problems occur abundantly in all branches of mathematics or in the mathematical treatment of the sciences. Sequence transformations are principal tools to overcome convergence problems of the kind. They accomplish this by converting a slowly converging or diverging input sequence $\{s_n \}_{n=0}^{\infty}$ into another sequence $\{s^{\prime}_n \}_{n=0}^{\infty}$ with hopefully better numerical properties. Padé approximants, which convert the partial sums of a power series to a doubly indexed sequence of rational functions, are the best known sequence transformations, but the emphasis of the review will be on alternative sequence transformations which for some problems provide better results than Padé approximants.

math.CA↗

arXiv2000

Extrapolation Methods for Improving the Convergence of Oligomer Calculations to the Infinite Chain Limit of Quasi-Onedimensional Stereoregular Polymers

Quasi-onedimensional stereoregular polymers as for example polyacetylene are currently of considerable interest. There are basically two different approaches for doing electronic structure calculations: One method is essentially based on concepts of solid state theory. The other method is essentially a quantum chemical method since it approximates the polymer by oligomers consisting of a finite number of monomer units. In this way, the highly developed technology of quantum chemical molecular programs can be used. Unfortunately, oligomers of finite size are not necessarily able to model those features of a polymer which crucially depend of its in principle infinite extension. In such a case extrapolation techniques can be extremely helpful. For example, one can perform electronic structure calculations for a sequence of oligomers with an increasing number of monomer units. In the next step, one then can try to determine the limit of this sequence for an oligomer of infinite length with the help of suitable extrapolation methods. Several different extrapolation methods are discussed which are able to accomplish an extrapolation of energies and properties of oligomers to the infinite chain limit. Calculations for the ground state energy of polyacetylene are presented which demonstrate the practical usefulness of extrapolation methods.

math.NA↗

arXiv2000

Irregular Input Data in Convergence Acceleration and Summation Processes: General Considerations and Some Special Gaussian Hypergeometric Series as Model Problems

Sequence transformations accomplish an acceleration of convergence or a summation in the case of divergence by detecting and utilizing regularities of the elements of the sequence to be transformed. For sufficiently large indices, certain asymptotic regularities normally do exist, but the leading elements of a sequence may behave quite irregularly. The Gaussian hypergeometric series 2F1 (a, b; c; z) is well suited to illuminate problems of that kind. Sequence transformations perform quite well for most parameters and arguments. If, however, the third parameter $c$ of a nonterminating hypergeometric series 2F1 is a negative real number, the terms initially grow in magnitude like the terms of a mildly divergent series. The use of the leading terms of such a series as input data leads to unreliable and even completely nonsensical results. In contrast, sequence transformations produce good results if the leading irregular terms are excluded from the transformation process. Similar problems occur also in perturbation expansions. For example, summation results for the infinite coupling limit k_3 of the sextic anharmonic oscillator can be improved considerably by excluding the leading terms from the transformation process. Finally, numerous new recurrence formulas for the 2F1 (a, b; c; z) are derived.

math.NA↗

arXiv2000

Prediction Properties of Aitken's Iterated Delta^2 Process, of Wynn's Epsilon Algorithm, and of Brezinski's Iterated Theta Algorithm

The prediction properties of Aitken's iterated Delta^2 process, Wynn's epsilon algorithm, and Brezinski's iterated theta algorithm for (formal) power series are analyzed. As a first step, the defining recursive schemes of these transformations are suitably rearranged in order to permit the derivation of accuracy-through-order relationships. On the basis of these relationships, the rational approximants can be rewritten as a partial sum plus an appropriate transformation term. A Taylor expansion of such a transformation term, which is a rational function and which can be computed recursively, produces the predictions for those coefficients of the (formal) power series which were not used for the computation of the corresponding rational approximant.

math.CA↗