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Methods of Extrapolating the T-Expansion Series

Calvin Stubbins

Published Jul 18, 2022• 2 citations
OpenAlex

Abstract

We present four new methods in addition to the standard methods of extrapolating the t-expansion series, and make a comprehensive comparison of these procedures by applying them to the t-series for three quantum systems.We have found that by writing the series as a ratio of decreasing exponentials it is possible to devise methods that are significantly more accurate than the standard methods for low order series.By studying the function t(E) we have found a procedure that is more accurate than the standard methods for all t-series orders in two of the test sytems.

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We present four new methods in addition to the standard methods of extrapolating the t-expansion series, and make a comprehensive comparison of these procedures by applying them to the t-series for three quantum systems.We have found that by writing the series as a ratio of decreasing exponentials it is possible to devise methods that are significantly more accurate than the standard methods for low order series.By studying the function t(E) we have found a procedure that is more accurate than the standard methods for all t-series orders in two of the test sytems.
Ordered operator expansions for operators forming physically important low-dimensional Lie algebras are derived in a simple unified way. Starting with the Zassenhaus formula for the disentangling of exponential operators, series expansions of both undisentangled and disentangled exponentials and comparison of the operator coefficients of equal powers of an ordering parameter alpha leads to ordered operator expansions. This 'comparison method' gives an alternative simple derivation of some already known formulae and a number of new formulae in the physical and chemical applications of the harmonic oscillator and for master equation problems with nearest-neighbour transition probabilities. The 'comparison method' cannot be applied to the angular momentum algebra directly. By a slight modification it can be used to derive from one matrix element or trace of J x k J y l J z n all possible combinations k, l, n by simply comparing powers of ordering parameters.
The standard textbook formulas for the perturbation corrections are somewhat cumbersome for a systematic calculation of sufficiently high order. In this book we show several alternative strategies that are easily programmable for numerical or algebraic calculation. We are mainly concerned with the derivation of exact perturbation corrections, and therefore concentrate on sufficiently simple nontrivial models having physical application. However, some of the algorithms discussed in this book are also suitable for numerical calculation.
The use of series expansions to determine the nature of critical point singularities, especially the values of the critical exponents, is reviewed.Ratio techniques, based on extrapolation of the ratios of successive expansion coefficients, and Padé approximant methods, utilizing logarithmic derivatives, are explained, illustrated, and compared. Introduction.In this lecture I will survey briefly the phenomena observed near the critical point of a system.The range of behavior is very varied and we shall only examine one or two typical examples.The main aim will be to establish the existence of the so-called "critical point exponents" which describe the nature of the mathematical singularities exhibited by the different thermodynamic functions as the critical point is approached.The theory of these singularities may be developed via suitable statistical-mechanical models which, while caricatures of a realistic physical system, retain such vital features as the dimensionality of space, the finite range of the interactions, and certain basic symmetry properties.These models in turn are usually intractable as regards exact mathematical analysis.However, general methods can be developed which yield power series expansions for many functions of interest; frequently between 8 to 30 leading coefficients of such power series can be obtained.The problem is then a numerical one of extrapolating the series in such a way as to estimate the nature of the particular critical point singularity and the behavior of the function in its vicinity.I will show how this can, in favorable cases, be handled by studying the ratios of successive expansion coefficients.The method was pioneered by Domb and his coworkers, especially Sykes and Fisher [1], [2].The reliability of the techniques can be tested against the relatively few closed form mathematical results, in particular, Onsager's renowned solution of the two-dimensional Ising models [3].In less favorable examples this approach fails, and then, as first demonstrated by Baker [3], Padé approximants have a vital role to play.In a number of important cases the intelligent application of Padé approximants has been strikingly successful [3], [4].Such techniques have thus established a central place for themselves in the