Regularization of singular systems of linear algebraic equations by shifts

Regularization of singular systems of linear algebraic equations by shifts is examined. New equivalent conditions for the shift regularizability of such systems are derived.     

基于矩阵初等变换的n元函数极值的快速判别法

给出了 n元函数极值的一个充分条件 ,并结合矩阵的初等变换建立了 n元函数极值的一种快速判别法 ,最后给出了一个例子     

A note on the complex semi‐definite matrix Procrustes problem

This note outlines an algorithm for solving the complex ‘matrix Procrustes problem’. This is a least‐squares approximation over the cone of positive semi‐definite Hermitian matrices, which has a number of applications in the areas of Optimization, Signal Processing and Control. The work generalizes the method of Allwright (SIAM J. Control Optim. 1988; 26 (3):537–556), who obtained a numerical solution to the real‐valued version of the problem. It is shown that, subject to an appropriate rank assumption, the complex problem can be formulated in a real setting using a matrix‐dilation technique, for which the method of Allwright is applicable. However, this transformation results in an over‐parametrization of the problem and, therefore, convergence to the optimal solution is slow. Here, an alternative algorithm is developed for solving the complex problem, which exploits fully the special structure of the dilated matrix. The advantages of the modified algorithm are demonstrated via a numerical example. Copyright © 2007 John Wiley & Sons, Ltd.     

Differential density matrix overlap: an index for assessment of electron correlation in atoms and molecules

Summary A new index, called the differential density matrix overlap (DDMO), is proposed for assessment of the electron correlation effects in atoms and molecules. DDMO can be easily calculated as the negative value of the correlation energy derivative with respect to the relative position of the occupied and virtual orbitals. DDMO is transparent to physical interpretation. It can serve as a tool for analyzing the accuracy of approximate electron correlation methods and the validity of the Hartree-Fock wavefunction as the zeroth-order approximation. The properties of DDMO are discussed using test calculations on 11 atoms and molecules as an example.     

正定矩阵标准型的复合矩阵的一般形式

实对称正定矩阵的复合矩阵正定性的研究已有结论,但对于一般意义下的正定矩阵的复合矩阵是否仍然是正定的研究需要利用一般的正定矩阵的标准形的复合矩阵进行讨论,给出了一般公式及具体算法,为讨论其复合矩阵的正定性提供了基础条件.     

表面细分技术在二维声辐射和声散射中的应用

把表面细分技术应用于求解边界积分方程，既能把CAD模型直接用于边界元分析，又能精确描述复杂的边界几何形状，实现网格自动加密和形函数自动升阶，满足误差要求。把它应用于简单的二维声辐射和声散射，结果表明对提高边界元方法的计算精度是有效的。     

Pascal矩阵与Vandermonde矩阵的关系

EI-Mikkawy M证明了对称Pascal矩阵Q_n和Vlandermonde矩阵V_n之间满足矩阵方程Q_n=T_nV_n,这里T_n是一个随机矩阵。本文证明了随机矩阵T_n能够分解成第一类Stirling矩阵和对角矩阵的乘积,得到了矩阵T_n的元素之间的递推关系,从而回答了EI-Mikkawy M的一个公开问题。同时得到了一些与Stirling数相关的组合恒等式。     

Adaptive application of operators in standard representation

Recently adaptive wavelet methods have been developed which can be shown to exhibit an asymptotically optimal accuracy/work balance for a wide class of variational problems including classical elliptic boundary value problems, boundary integral equations as well as certain classes of noncoercive problems such as saddle point problems. A core ingredient of these schemes is the approximate application of the involved operators in standard wavelet representation. Optimal computational complexity could be shown under the assumption that the entries in properly compressed standard representations are known or computable in average at unit cost. In this paper we propose concrete computational strategies and show under which circumstances this assumption is justified in the context of elliptic boundary value problems. Dedicated to Charles A. Micchelli on the occasion of his 60th birthday Mathematics subject classifications (2000) 41A25, 41A46, 65F99, 65N12, 65N55. This work has been supported in part by the Deutsche Forschungsgemeinschaft SFB 401, the first and third author are supported in part by the European Community's Human Potential Programme under contract HPRN-CT-202-00286 (BREAKING COMPLEXITY). The second author acknowledges the financial support provided through the European Union's Human Potential Programme, under contract HPRN-CT-2002-00285 (HASSIP) and through DFG grant DA 360/4–1.     

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.