Multisplitting Iteration Schemes for Solving a Class of Nonlinear Complementarity Problems

We consider several synchronous and asynchronous multisplitting iteration schemes for solving aclass of nonlinear complementarity problems with the system matrix being an H-matrix.We establish theconvergence theorems for the schemes.The numerical experiments show that the schemes are efficient forsolving the class of nonlinear complementarity problems.     

非自治时滞微分方程的正周期解

By utilizing a fixed point theorem on cone,some new results on the existence of positive periodic solutions for nonautonomous differential equations with delay are derived.     

小分子硫原子团簇正离子的结构稳定性

用分子图形软件设计出 4 9种硫原子团簇Sn+ (n =3～ 13)的结构 ,使用B3LYP密度泛函进行几何构型优化和振动频率计算 ,根据分子的总能量得出最稳定的同分异构体 .在硫原子团簇正离子中 ,大部分原子为二配位成键 .带有一、三配位的原子结构的总能量较高 .部分最稳定硫原子团簇正离子的构型与最稳定的中性硫原子团簇的构型完全不同 .     

脉冲激光偏振方向对氮分子高次谐波的影响——基于含时密度泛函理论的模拟

采用含时密度泛函方法,结合赝势模型和电子交换相关作用的广义梯度近似,模拟了氮分子在超强飞秒激光脉冲作用下的高次谐波产生现象,并研究了激光脉冲偏振方向对氮分子高次谐波的影响.结果表明氮分子的高次谐波谱具有典型原子谐波谱的特征;谐波谱强度随着θ(激光偏振方向与分子轴向夹角)的增大而减小.这与J.Itatanl在Nature上报道的实验结果基本一致.     

数学物理方程中的通解问题

通过例证说明,通解法对于偏微分方程而言,其适用范围要比通常认为的大.并表明,只要适当变通,行波法就可用于有界情况.     

Banach空间无界域上二阶脉冲积分微分方程的解

在比较宽松的条件下，研究了Banach空间中二阶脉冲积分微分方程在正半实轴上具有无穷个脉冲点的初值问题的解的存在性。利用递归法、Tonelii序列和局部凸拓扑，建立了新的存在性定理，对郭大钧的结果做了本质改进。     

极限环和拟旋转向量场

本文定义了平面上的拟旋转向量场,研究在拟旋转向量场中极限环随参数的变化情况,证明它具有和旋转向量场完全族类似的性质.     

Surface rumpling of cubic CaTiO3 from density functional theory

In this paper, the structure of cubic CaTiO3 （001） surfaces with CaO and TiO2 terminations has been studied from density functional calculations. It has been found that the Ca atom has the largest relaxation for both kinds of terminations, and the rumpling of the CaO-terminated surface is much larger than that of TiO2-terminated surface. Also we have found that the metal atom relaxes much more prominently than the O atom does in each layer. The CaO-terminated surface is slightly more energetically favourahle than the TiO2-terminated surface from the analysis of the calculated surface energy.     

线性互补问题的并行多分裂松弛迭代算法

运用矩阵多重分裂理论,同时考虑并行计算与松弛迭代法,得到一类求解线性互补问题的高效数值算法．当问题的系数矩阵为对角元为正的H-矩阵或对称半正定矩阵时,证明了算法的全局收敛性；该算法与已有算法相比,具有计算量小、计算速度快等特点,因而特别适于求解大规模问题．数值试验的结果说明了算法的有效性．