Continued Fraction Solutions to Hermite's, Legendre's and Laguerre's Differential Equation

The continued fraction method for solving differential equations is illustrated using three famous differential equations used in quantum chemistry.

The Q-D algorithm for transforming series expansions into a corresponding continued fraction: an extension to cope with zero coefficients

An algorithm for deriving a continued fraction that corresponds to two series expansions simultaneously, when there are zero coefficients in one or both series, is given. It is based on using the Q-D algorithm to derive the corresponding fraction for two related series, and then transforming it into the required continued fraction. Two examples are given. (C) 2003 Elsevier B.V. All rights reserved.

CONTINUED-FRACTION FORMALISM APPLIED TO THE SPIN-1/2 XYZ MODEL

In this paper, we evaluate the correlation functions of the spin-1/2 XYZ model for some particular cases by using the Mori continued-fraction formalism. The results are exactly the same as those well-known ones. This removes any doubt about the convergence of the continued fraction recently raised by some authors.

On the Various Bisection Methods Derived from Vincent’s Theorem

In 2000 A. Alesina and M. Galuzzi presented Vincent’s theorem “from a modern point of view” along with two new bisection methods derived from it, B and C. Their profound understanding of Vincent’s theorem is responsible for simplicity — the characteristic property of these two methods. In this paper we compare the performance of these two new bisection methods — i.e. the time they take, as well as the number of intervals they examine in order to isolate the real roots of polynomials — against that of the well-known Vincent-Collins-Akritas method, which is the first bisection method derived from Vincent’s theorem back in 1976. Experimental results indicate that REL, the fastest implementation of the Vincent-Collins-Akritas method, is still the fastest of the three bisection methods, but the number of intervals it examines is almost the same as that of B. Therefore, further research on speeding up B while preserving its simplicity looks promising.

Validation of a method for estimating realized annual fecundity in a multiple spawner, the long-snouted seahorse (Hippocampus guttulatus), using underwater visual census

The long-snouted seahorse (Hippocampus guttulatus) (Cuvier, 1829), was used to validate the pre-dictive accuracy of three progressively realistic models for estimating the realized annual fecundity of asyn-chronous, indeterminate, multiple spawners. Underwater surveys and catch data were used to estimate the duration of the reproductive season, female spawning frequency, male brooding frequency, and batch fecun-dity. The most realistic model, a generalization of the spawning fraction method, produced unbiased estimates of male brooding frequency (mean ±standard deviation [SD]=4.2 ±1.6 broods/year). Mean batch fecundity and realized annual fecundity were 213.9 (±110.9) and 903.6 (±522.4), respectively. However, females prepared significantly more clutches than the number of broods produced by males. Thus, methods that infer spawning frequency from patterns in female egg production may lead to significant overestimates of realized annual fecundity. The spawning fraction method is broadly applicable to many taxa that exhibit parental care and can be applied nondestructively to species for which conservation is a concern.

ELECTRON-STATES OF A STACKING-FAULT RIBBON IN SILICON

The electronic structure of a bounded intrinsic stacking fault in silicon is calculated. The method used is an LCAO-scheme (Linear Combinations of Atomic Orbitals) taking ten atomic orbitals of s-, p-, and d-type into account. The levels in the band gap are extracted using Lanczos' algorithm and a continued fraction representation of the local density of states. We find occupied states located up to 0.3 eV above the valence band maximum (E(v)). This significantly differs from the result obtained for the ideal infinite fault for which the interface state is located at E(v)+ 0.1 eV.

Escape times for rigid Brownian rotators in a bistable potential from the time evolution of the Green function and the characteristic time of the probability evolution

The greatest relaxation time for an assembly of three- dimensional rigid rotators in an axially symmetric bistable potential is obtained exactly in terms of continued fractions as a sum of the zero frequency decay functions (averages of the Legendre polynomials) of the system. This is accomplished by studying the entire time evolution of the Green function (transition probability) by expanding the time dependent distribution as a Fourier series and proceeding to the zero frequency limit of the Laplace transform of that distribution. The procedure is entirely analogous to the calculation of the characteristic time of the probability evolution (the integral of the configuration space probability density function with respect to the position co-ordinate) for a particle undergoing translational diffusion in a potential; a concept originally used by Malakhov and Pankratov (Physica A 229 (1996) 109). This procedure allowed them to obtain exact solutions of the Kramers one-dimensional translational escape rate problem for piecewise parabolic potentials. The solution was accomplished by posing the problem in terms of the appropriate Sturm-Liouville equation which could be solved in terms of the parabolic cylinder functions. The method (as applied to rotational problems and posed in terms of recurrence relations for the decay functions, i.e., the Brinkman approach c.f. Blomberg, Physica A 86 (1977) 49, as opposed to the Sturm-Liouville one) demonstrates clearly that the greatest relaxation time unlike the integral relaxation time which is governed by a single decay function (albeit coupled to all the others in non-linear fashion via the underlying recurrence relation) is governed by a sum of decay functions. The method is easily generalized to multidimensional state spaces by matrix continued fraction methods allowing one to treat non-axially symmetric potentials, where the distribution function is governed by two state variables. (C) 2001 Elsevier Science B.V. All rights reserved.

PHONON-SPECTRA OF RANDOMLY DISORDERED SYSTEM

We study the phonon density of states of a three dimensional disordered mixed crystal NaCl(x)Br1-x. The phonon structure is obtained by using a cluster method based on a continued fraction expansion of the Green function. The proposed dynamic model includes only short range interactions (first and second neighbors) but supports some qualitative features of the constituents binary alloys.

Optimization of Rational Approximations by Continued Fractions

The paper has been presented at the 12th International Conference on Applications of Computer Algebra, Varna, Bulgaria, June, 2006.

Polynomials of Pellian Type and Continued Fractions

We investigate infinite families of integral quadratic polynomials {fk (X)} k∈N and show that, for a fixed k ∈ N and arbitrary X ∈ N, the period length of the simple continued fraction expansion of √fk (X) is constant. Furthermore, we show that the period lengths of √fk (X) go to infinity with k. For each member of the families involved, we show how to determine, in an easy fashion, the fundamental unit of the underlying quadratic field. We also demonstrate how the simple continued fraction ex- pansion of √fk (X) is related to that of √C, where √fk (X) = ak*X^2 +bk*X + C. This continues work in [1]–[4].

A Fast Algorithm for Weber Problem on a Grid

AMS subject classification: 90B80.

Privileged Words and Sturmian Words

This dissertation has two almost unrelated themes: privileged words and Sturmian words. Privileged words are a new class of words introduced recently. A word is privileged if it is a complete first return to a shorter privileged word, the shortest privileged words being letters and the empty word. Here we give and prove almost all results on privileged words known to date. On the other hand, the study of Sturmian words is a well-established topic in combinatorics on words. In this dissertation, we focus on questions concerning repetitions in Sturmian words, reproving old results and giving new ones, and on establishing completely new research directions. The study of privileged words presented in this dissertation aims to derive their basic properties and to answer basic questions regarding them. We explore a connection between privileged words and palindromes and seek out answers to questions on context-freeness, computability, and enumeration. It turns out that the language of privileged words is not context-free, but privileged words are recognizable by a linear-time algorithm. A lower bound on the number of binary privileged words of given length is proven. The main interest, however, lies in the privileged complexity functions of the Thue-Morse word and Sturmian words. We derive recurrences for computing the privileged complexity function of the Thue-Morse word, and we prove that Sturmian words are characterized by their privileged complexity function. As a slightly separate topic, we give an overview of a certain method of automated theorem-proving and show how it can be applied to study privileged factors of automatic words. The second part of this dissertation is devoted to Sturmian words. We extensively exploit the interpretation of Sturmian words as irrational rotation words. The essential tools are continued fractions and elementary, but powerful, results of Diophantine approximation theory. With these tools at our disposal, we reprove old results on powers occurring in Sturmian words with emphasis on the fractional index of a Sturmian word. Further, we consider abelian powers and abelian repetitions and characterize the maximum exponents of abelian powers with given period occurring in a Sturmian word in terms of the continued fraction expansion of its slope. We define the notion of abelian critical exponent for Sturmian words and explore its connection to the Lagrange spectrum of irrational numbers. The results obtained are often specialized for the Fibonacci word; for instance, we show that the minimum abelian period of a factor of the Fibonacci word is a Fibonacci number. In addition, we propose a completely new research topic: the square root map. We prove that the square root map preserves the language of any Sturmian word. Moreover, we construct a family of non-Sturmian optimal squareful words whose language the square root map also preserves.This construction yields examples of aperiodic infinite words whose square roots are periodic.

Solution cation-binding properties of segmented polyethylene oxide-A C-13 NMR spectroscopic study

Two segmented polyethylene oxides, SPEO-3 and SPEO-4, were prepared using a novel transetherification methodology. Their structures were confirmed by H-1 and C-13 NMR spectroscopy. The complexation of these SPEO's with alkali-metal ions in solution was investigated by C-13 NMR spectroscopy. The mole-fraction method was used to determine the complexation ratio of SPEO with LIClO4 at 25 degrees C, which showed that these formed 1:1 (polymer repeat unit/salt) complexes. The association constant, K, for the complex formation was calculated from the variation of the chemical shift values with salt concentration, using a standard nonlinear least-square fitting procedure. The maximum change in chemical shift (Delta delta) and the K values suggest that both SPEO-3 and SPEO-4 formed stronger complexes with lithium salts than with sodium salts. Unexpectedly, the K values were found to be different, when the variation of delta of different carbons was used in the fitting procedure. This suggests that several possible complexed species may be in equilibrium with the uncomplexed one. Structurally similar model compounds were also prepared and their complexation studies indicated that all of them also formed 1:1 complexes with Li salts. Interestingly, it was observed that the polymers gave higher K values suggesting the formation of more stable complexes in polymers when compared to the model analogues. (C) 2000 John Wiley & Sons, Inc.

ELECTRON-STATES OF A VACANCY IN THE CORE OF THE 90-DEGREES PARTIAL DISLOCATION IN SILICON

An LCAO scheme (linear combination of atomic orbitals) taking into account ten atomic orbitals (s-, p-, and d-type) is used to calculate the electronic structure of a vacancy present in the core of the reconstructed 90 degrees partial dislocation in silicon. The levels in the band gap are extracted using Lanczos' algorithm and a continued fraction representation of the local density of states. The three-fold degenerate stale of the ideal vacancy is split into three levels with energies 0.26, 1.1, and 1.9 eV measured from the valence band edge.

An improved estimate of leaf area index based on the histogram analysis of hemispherical photographs

Leaf area index (LAI) is a key parameter that affects the surface fluxes of energy, mass, and momentum over vegetated lands, but observational measurements are scarce, especially in remote areas with complex canopy structure. In this paper we present an indirect method to calculate the LAI based on the analyses of histograms of hemispherical photographs. The optimal threshold value (OTV), the gray-level required to separate the background (sky) and the foreground (leaves), was analytically calculated using the entropy crossover method (Sahoo, P.K., Slaaf, D.W., Albert, T.A., 1997. Threshold selection using a minimal histogram entropy difference. Optical Engineering 36(7) 1976-1981). The OTV was used to calculate the LAI using the well-known gap fraction method. This methodology was tested in two different ecosystems, including Amazon forest and pasturelands in Brazil. In general, the error between observed and calculated LAI was similar to 6%. The methodology presented is suitable for the calculation of LAI since it is responsive to sky conditions, automatic, easy to implement, faster than commercially available software, and requires less data storage. (C) 2008 Elsevier B.V. All rights reserved.