转动喇曼散射截面的群论计算

本文利用群链U(4)U(3)O(3)描述双原子分子N_2和O_2振转谱的对称性质,并利用群论方法计算了N_2和O_2分子转动喇曼散射的跃迁矩阵元,给出了它们的转动喇曼散射的截面。结果与实验较好地符合。     

一般矩阵函数的变差(英文)

设Sn是n次对称群,G为Sn的子群,χ是G的次数为1的特征标.如果A是一个n阶复变矩阵,定义一般矩阵函数dχG为dχG(A)=∑σ∈Gχ(σ)∏ni=1aiσ(i).本文用lp-算子范数(1≤p≤∞)的性质证明了一般矩阵函数变差的两个不等式.     

关于可达矩阵的求法探讨

在《离散数学》、《图论》课程中 ,用矩阵表示图时 ,涉及到一类重要的矩阵——可达矩阵 ,它是判别图中任意两点是否有通路的重要手段 ,也是求强分图的重要方法 ,但是可达矩阵的求法比较复杂 .本文针对这一问题 ,对可达矩阵的求法进行了改进 ,提出了一种简单可行的算法 .     

Transfer matrix approach of vibration isolation analysis of periodic composite structure

The transmission properties of elastic waves propagating in a three-dimensional composite structure embedded periodically with spherical inclusions are analyzed by the transfer matrix method in this paper. Firstly, the periodic composite structures are divided into many layers, the transfer matrix of monolayer structure is deduced by the wave equations, and the transfer matrix of the entire structure is obtained in the case of boundary conditions of displacement and stress continuity between layers. Then, the effective impedance of the structure is analyzed to calculate its reflectivity and transmissivity of vibration isolation. Finally, numerical simulation is carried out; the experiment results validate the accuracy and feasibility of the method adopted in the paper and some useful conclusions are obtained. Project (No. 50075029) supported by the National Natural Science Foundation of China.     

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.     

线性互补问题的异步并行多分裂松弛迭代算法

将求解线性方程组的异步并行多分裂松弛迭代算法推广到线性互补问题.当问题的系数矩阵为H-矩阵类时,证明了算法的全局收敛性.