Interlacing of zeros of shifted sequences of one-parameter orthogonal polynomials

We study the interlacing property of zeros of Laguerre polynomials of adjacent degree, where the free parameters differ by an integer, and of the same degree, where the free parameter is shifted continuously. Similar interlacing results are proven for the positive zeros of Gegenbauer polynomials. Research by Kathy Driver is supported by the National Research Foundation of South Africa under grant number 2053730. Research by Kerstin Jordaan is partially supported by the National Research Foundation of South Africa under grant number 2054423.     

Numerical integration with polynomial exactness over a spherical cap

This paper presents rules for numerical integration over spherical caps and discusses their properties. For a spherical cap on the unit sphere \mathbbS²\mathbb{S}^2, we discuss tensor product rules with n ²/2 + O(n) nodes in the cap, positive weights, which are exact for all spherical polynomials of degree ≤ n, and can be easily and inexpensively implemented. Numerical tests illustrate the performance of these rules. A similar derivation establishes the existence of equal weight rules with degree of polynomial exactness n and O(n ³) nodes for numerical integration over spherical caps on \mathbbS²\mathbb{S}^2. For arbitrary d ≥ 2, this strategy is extended to provide rules for numerical integration over spherical caps on \mathbbS^d\mathbb{S}^d that have O(n ^d ) nodes in the cap, positive weights, and are exact for all spherical polynomials of degree ≤ n. We also show that positive weight rules for numerical integration over spherical caps on \mathbbS^d\mathbb{S}^d that are exact for all spherical polynomials of degree ≤ n have at least O(n ^d ) nodes and possess a certain regularity property.     

Supply chain design considering economies of scale and transport frequencies

In this paper we consider a 3-echelon, multi-product supply chain design model with economies of scale in transport and warehousing that explicitly takes transport frequencies into consideration. Our model simultaneously optimizes locations and sizes of tank farms, material flows, and transport frequencies within the network. We consider all relevant costs: product cost, transport cost, tank rental cost, tank throughput cost, and inventory cost. The problem is based on a real-life example from a chemical company. We show that considering economies of scale and transport frequencies in the design stage is crucial and failing to do so can lead to substantially higher costs than optimal. We solve a wide variety of problems with branch-and-bound and with the efficient solution heuristics based on iterative linearization techniques we develop. We show that the heuristics are superior to the standard branch-and-bound technique for large problems like the one of the chemical company that motivated our research.     

Cubature over the sphere in Sobolev spaces of arbitrary order

This paper studies numerical integration (or cubature) over the unit sphere for functions in arbitrary Sobolev spaces H^s(S²), s>1. We discuss sequences of cubature rules, where (i) the rule Q_m(n) uses m(n) points and is assumed to integrate exactly all (spherical) polynomials of degree ≤n and (ii) the sequence (Q_m(n)) satisfies a certain local regularity property. This local regularity property is automatically satisfied if each Q_m(n) has positive weights. It is shown that for functions in the unit ball of the Sobolev space H^s(S²), s>1, the worst-case cubature error has the order of convergence O(n^-s), a result previously known only for the particular case . The crucial step in the extension to general s>1 is a novel representation of , where P_ℓ is the Legendre polynomial of degree ℓ, in which the dominant term is a polynomial of degree n, which is therefore integrated exactly by the rule Q_m(n). The order of convergence O(n^-s) is optimal for sequences (Q_m(n)) of cubature rules with properties (i) and (ii) if Q_m(n) uses m(n)=O(n²) points.     

Zeros of linear combinations of Laguerre polynomials from different sequences

We study interlacing properties of the zeros of two types of linear combinations of Laguerre polynomials with different parameters, namely and . Proofs and numerical counterexamples are given in situations where the zeros of R_n, and S_n, respectively, interlace (or do not in general) with the zeros of , , k=n or n−1. The results we prove hold for continuous, as well as integral, shifts of the parameter α.     

Extraktionsverhalten methylsubstituierter chinolin-8-ole gegenüber kupfer

Extraction behavior of methyl-substituted 8-quinolinols towards copper). The distribution of 2-, 5-, and 7-methyl-8-quinolinols and the extraction of their copper chelates are reported for the chloroform/water system. The stability constants for the copper complexes were calculated. From the acidity and distribution constants of the isomeric 8-quinolinols and the stability and extraction constants of the copper chelates, 7-methyl-8-quinolinol provides the highest complex stability and is the best extractant of the series.     

Electronic photodissociation spectroscopy of Aun- x Xe (n = 7-11) versus time-dependent density functional theory prediction

Electronic (one-photon) photodepletion spectra were recorded for gold cluster anions complexed with one xenon atom over the photon energy range 2.1-3.4 eV. Clusters were generated by pulsed laser vaporization and probed under collisionless molecular beam conditions. The spectra obtained are highly structured with the narrowest features--assigned to individual electronic transitions--having bandwidths of less than 40 meV. Time-dependent density functional theory predictions of optically allowed transitions for the most stable--planar--isomers of the corresponding bare metal cluster anions are generally consistent with the experimental observation.