Continuous time collocation methods for Volterra-Fredholm integral equations

Summary Integral equations of mixed Volterra-Fredholm type arise in various physical and biological problems. In the present paper we study continuous time collocation, time discretization and their global and discrete convergence properties.     

Optimality relationships forp-cyclic SOR

Summary The optimality question for blockp-cyclic SOR iterations discussed in Young and Varga is answered under natural conditions on the spectrum of the block Jacobi matrix. In particular, it is shown that repartitioning a blockp-cyclic matrix into a blockq-cyclic form,q, results in asymptotically faster SOR convergence for the same amount of work per iteration. As a consequence block 2-cyclic SOR is optimal under these conditions.Research supported in part by the US Air Force under Grant no. AFOSR-88-0285 and the National Science Foundation under grant no. DMS-85-21154 Present address: Boeing Computer Services, P.O. Box 24346, MS 7L-21, Seattle, WA 98124-0346, USA     

Tchebychev acceleration technique for large scale nonsymmetric matrices

Summary The acceleration by Tchebychev iteration for solving nonsymmetric eigenvalue problems is dicussed. A simple algorithm is derived to obtain the optimal ellipse which passes through two eigenvalues in a complex plane relative to a reference complex eigenvalue. New criteria are established to identify the optimal ellipse of the eigenspectrum. The algorithm is fast, reliable and does not require a search for all possible ellipses which enclose the spectrum. The procedure is applicable to nonsymmetric linear systems as well.     

对称正交反对称矩阵反问题解存在的条件

矩阵反问题和矩阵特征值反问题在科学和工程技术中具有广泛的应用,有关它们的研究已取得了许多进展[1,2].[3]和[4]分别研究了反对称矩阵反问题和双反对称矩阵特征值反问题等.本文研究一类更广泛的对称正交反对称矩阵反问题.用Rn×m（Cn×m）表示n×m实（复）矩阵的全体,ASRn×n表示n阶反对称矩阵的全体,ABSRn×n表示n阶双反对称矩阵的全体,ORn×n表示n阶正交矩阵的全体.A+表示矩阵A的Moore-Penrose广义逆.In表示n阶单位矩阵.ei表示n阶单位矩阵的第i列,Sn=[en,en-1,     

Electronic spectra of cationic forms of meso-tetrapropylporphin in a nanoporous silicate gel matrix

We have studied the fluorescence and fluorescence excitation spectra at 300 K, 77 K, and 4.2 K for silicate gel matrices colored with meso-tetrapropylporphin by impregnation of the matrix with a solution of the pigment. Comparison of the data obtained with the absorption spectra in acidified solutions and analysis of the low-temperature fine-structure vibronic spectra, and also taking into account data obtained earlier for octaethylporphin in a xerogel showed formation of two cationic forms of meso-tetrapropylporphin in the gel matrix: the short-wavelength form has a dicationic structure, while the long-wavelength form has a monocationic structure. We have traced out the correlations of the vibrational structure in the spectra of the dicationic form with data for the porphin dication, and we have drawn a number of conclusions concerning the normal vibrational modes that are active in the vibronic fluorescence and absorption spectra of the studied cationic forms. Using the AM1 semiempirical quantum chemical method, we optimized the geometry of the mesotetrapropylporphin dication: the most stable of the possible conformers is the dication structure with saddleshaped macrocycle nonplanarity. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 73, No. 4, pp. 453–461, July–August, 2006.     

A Monte Carlo method for high dimensional integration

Summary A new method for the numerical integration of very high dimensional functions is introduced and implemented based on the Metropolis' Monte Carlo algorithm. The logarithm of the high dimensional integral is reduced to a 1-dimensional integration of a certain statistical function with respect to a scale parameter over the range of the unit interval. The improvement in accuracy is found to be substantial comparing to the conventional crude Monte Carlo integration. Several numerical demonstrations are made, and variability of the estimates are shown.     

Cohomological properties of the quantum shuffle product and application to the construction of quasi-Hopf algebras

For a commutative algebra the shuffle product is a morphism of complexes. We generalize this result to the quantum shuffle product, associated to a class of non-commutative algebras (for example all the Hopf algebras). As a first application we show that the Hochschild-Serre identity is the dual statement of our result. In particular, we extend this identity to Hopf algebras. Secondly, we clarify the construction of a class of quasi-Hopf algebras.     

A posteriori error estimators for the Stokes equations

Summary We present two a posteriori error estimators for the mini-element discretization of the Stokes equations. One is based on a suitable evaluation of the residual of the finite element solution. The other one is based on the solution of suitable local Stokes problems involving the residual of the finite element solution. Both estimators are globally upper and locally lower bounds for the error of the finite element discretization. Numerical examples show their efficiency both in estimating the error and in controlling an automatic, self-adaptive mesh-refinement process. The methods presented here can easily be generalized to the Navier-Stokes equations and to other discretization schemes.This work was accomplished at the Universität Heidelberg with the support of the Deutsche Forschungsgemeinschaft     

Limits of parallelism in explicit ODE methods

Numerical methods for ordinary initial value problems that do not depend on special properties of the system are usually found in the class of linear multistage multivalue methods, first formulated by J.C. Butcher. Among these the explicit methods are easiest to implement. For these reasons there has been considerable research activity devoted to generating methods of this class which utilize independent function evaluations that can be performed in parallel. Each such group of concurrent function evaluations can be regarded as a stage of the method. However, it turns out that parallelism affords only limited opportunity for reducing the computing time with such methods. This is most evident for the simple linear homogeneous constant-coefficient test problem, whose solution is essentially a matter of approximating the exponential by an algebraic function. For a given number of stages and a given number of saved values, parallelism offers a somewhat enlarged set of algebraic functions from which to choose. However, there is absolutely no benefit in having the degree of parallelism (number of processors) exceed the number of saved values of the method. Thus, in particular, parallel one-step methods offer no speedup over serial one-step methods for the standard linear test problem. Although the implication of this result for general nonlinear problems is unclear, there are indications that dramatic speedups are not possible in general. Also given are some results relevant to the construction of methods.Work supported in part by National Science Foundation grants DMS 89 11410 and DMS 90 15533 and by US Department of Energy grant DOE DEFG02-87ER25026. Work of the second author was completed while at the University of Illinois.     

How to Express a Parallel Sum of k Matrices

We present an alternative expression for the parallel sum of k Hermitian nonnegative definite matrices by using the Moore-Penrose inverse of a block matrix.