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91.
In the spirit of the Hamiltonian QR algorithm and other bidirectional chasing algorithms, a structure-preserving variant of
the implicit QR algorithm for palindromic eigenvalue problems is proposed. This new palindromic QR algorithm is strongly backward
stable and requires less operations than the standard QZ algorithm, but is restricted to matrix classes where a preliminary
reduction to structured Hessenberg form can be performed. By an extension of the implicit Q theorem, the palindromic QR algorithm
is shown to be equivalent to a previously developed explicit version. Also, the classical convergence theory for the QR algorithm
can be extended to prove local quadratic convergence. We briefly demonstrate how even eigenvalue problems can be addressed
by similar techniques.
D. S. Watkins partly supported by Deutsche Forschungsgemeinschaft through Matheon, the DFG Research Center Mathematics for key technologies in Berlin. 相似文献
92.
This study extends the upstream flux‐splitting finite‐volume (UFF) scheme to shallow water equations with source terms. Coupling the hydrostatic reconstruction method (HRM) with the UFF scheme achieves a resultant numerical scheme that adequately balances flux gradients and source terms. The proposed scheme is validated in three benchmark problems and applied to flood flows in the natural/irregular river with bridge pier obstructions. The results of the simulations are in satisfactory agreement with the available analytical solutions, experimental data and field measurements. Comparisons of the present results with those obtained by the surface gradient method (SGM) demonstrate the superior stability and higher accuracy of the HRM. The stability test results also show that the HRM requires less CPU time (up to 60%) than the SGM. The proposed well‐balanced UFF scheme is accurate, stable and efficient to solve flow problems involving irregular bed topography. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
93.
In this paper we extend some of our previous works on continua with stress threshold. In particular here we propose a mathematical model for a continuum which behaves as a non-linear upper convected Maxwell fluid if the stress is above a certain threshold and as a Oldroyd-B type fluid if the stress is below such a threshold. We derive the constitutive equations for each phase exploiting the theory of natural configurations (introduced by Rajagopal and co-workers) and the criterion of the maximization of the rate of dissipation. We state the mathematical problem for a one-dimensional flow driven by a constant pressure gradient and study two peculiar cases in which the velocity of the inner part of the fluid is spatially homogeneous. 相似文献
94.
A semi-implicit multi-layer spherical spectral method for simulating stellar core convection is described. The fully compressible three-dimensional hydrodynamic equations with rotation and energy generation are solved. Prognostic variables are expressed as finite sums of spherical harmonics in the horizontal directions and handled by the finite difference method in the radial direction. The stratified approximation is used to simplify the nonlinearity to quadratic. A multi-layer scheme is employed to overcome the time step problem arising from shrinking grid sizes in the physical space near the center of the star. Despite of the different spectral truncations in different layers, round-off conservation of the total mass and total angular momentum of the whole domain can be maintained, and were confirmed numerically. The code is parallelized; with 12 processors the speedup factor is about 9. The solutions of model core convection with and without rotation are discussed. 相似文献
95.
We use an iteration scheme to approximate common fixed points of nearly asymptotically nonexpansive mappings.We generalize corresponding theorems of [1] to the case of two nearly asymptotically nonexpansive mappings and those of [9] not only to a larger class of mappings but also with better rate of convergence. 相似文献
96.
Normal halogen dependence of 13C NMR chemical shifts of halogenomethanes revisited at the four‐component relativistic level 下载免费PDF全文
Dmitry O. Samultsev Yury Yu. Rusakov Leonid B. Krivdin 《Magnetic resonance in chemistry : MRC》2016,54(10):787-792
The ‘Normal Halogen Dependence’ of 13C NMR chemical shifts in the series of halogenomethanes is revisited at the four‐component relativistic level. Calculations of 13C NMR chemical shifts of 70 halogenomethanes have been carried out at the density functional theory (DFT) and MP2 levels with taking into account relativistic effects using the four‐component relativistic theory of Dirac‐Coulomb within the different computational methods (4RPA, 4OPW91) and hybrid computational schemes (MP2 + 4RPA, MP2 + 4OPW91). The most efficient computational protocols are derived for practical purposes. Relativistic shielding effect reaches as much as several hundreds of ppm for heavy halogenomethanes, and to account for this effect in comparison with experiment at the qualitative level, relativistic Dyall's basis sets of triple‐zeta quality or higher are to be used within the framework of the four‐component relativistic theory taking into account solvent effects. Relativistic geometrical optimization (as compared with the non‐relativistic level) is essential for the molecules containing at least two iodines at one carbon atom. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
97.
基于Richardson外推法提出了一种求解Schrdinger方程的高阶紧致差分方法.该方法首先利用二阶微商的四阶精度紧致差分逼近公式对原方程进行求解,然后利用Richardson外推技术外推一次,得到了Schrdinger方程具有O(r~4+h~4)精度的数值解.通过Fourier分析方法证明了该格式是无条件稳定的.数值实验验证了该方法的高阶精度及有效性. 相似文献
98.
This article presents the study of singularly perturbed parabolic reaction–diffusion problems with boundary layers. To solve these problems, we use a modified backward Euler finite difference scheme on layer adapted nonuniform meshes at each time level. The nonuniform meshes are obtained by equidistribution of a positive monitor function, which involves the second-order spatial derivative of the singular component of the solution. The equidistributing monitor function at each time level allows us to use this technique to non-linear parabolic problems. The truncation error and the stability analysis are obtained. Parameter–uniform error estimates are derived for the numerical solution. To support the theoretical results, numerical experiments are carried out. 相似文献
99.
Adrien Joseph 《Random Structures and Algorithms》2011,39(2):247-274
We provide information about the asymptotic regimes for a homogeneous fragmentation of a finite set. We establish a phase transition for the asymptotic behavior of the shattering times, defined as the first instants when all the blocks of the partition process have cardinality less than a fixed integer. Our results may be applied to the study of certain random split trees. © 2010 Wiley Periodicals, Inc. Random Struct. Alg., 39, 247‐274, 2011 相似文献
100.
We propose a two-color scheme of atom waveguides and one-dimensional (1D) optical lattices using evanescent wave fields of different transverse modes around an optical micro/nano-fiber. The atom guide potential can be produced when the optical fiber carries a red-detuned light with TE01 mode and a blue-detuned light with HEll mode, and the 1D optical lattice potential can be produced when the red-detuned light is transformed to the superposition of the TE01 mode and HE11 mode. The two trapping potentials can be transformed to each other for accurately controlling mode transformation for the red-detuned light. This might provide a new approach to realize flexible transition between the guiding and trapping states of atoms. 相似文献