Halogen Bonding： An AIM Analysis of the Weak Interactions

A series of complexes formed between halogen-containing molecules and ammonia have been investigated by means of the atoms in molecules （AIM） approach to gain a deeper insight into halogen bonding. The existence of the halogen bond critical points （XBCP） and the values of the electron density （Pb） and Laplacian of electron density （V2pb） at the XBCP reveal the closed-shell interactions in these complexes. Integrated atomic properties such as charge, energy, polarization moment, volume of the halogen bond donor atoms, and the corresponding changes （△） upon complexation have been calculated. The present calculations have demonstrated that the halogen bond represents different AIM properties as compared to the well-documented hydrogen bond. Both the electron density and the Laplacian of electron density at the XBCP have been shown to correlate well with the interaction energy, which indicates that the topological parameters at the XBCP can be treated as a good measure of the halogen bond strength In addition, an excellent linear relationship between the interatomic distance d（X…N） and the logarithm of Pb has been established.     

High longitudinal selectivity of shifting multiplexing in volume holograms

High longitudinal selectivity of the shifting multiplexing with spherical reference wave is proposed and demonstrated. A simplified method based on wave optics is used for calculating the selectivity, and the result fits well the experimental measurement. Under the paraxial condition, a simple formula for the longitudinal selectivity is introduced. With use of an object lens with effective NA=0.817, we obtain that an FWHM of selectivity is as small as 1 μm.     

圆外区域求解Helmholtz方程

1引言许多科学和工程计算问题都可以归结为无界区域上的偏微分方程边值问题．而求解椭圆方程边值问题的常用技术是有限元方法,可是对于无界区域,在用有限元方法求解时,往往遇到困难．最简单的办法显然是直接略去区域的无界部分求解,但这样做或者导致过低的计算精度,或者要付出很高的计算代价．边界归化,即将求解偏微分方程边值问题转化为边界积分方程,是求解某些无界区域问题的强有力的手段．自70年代以来,有限元和     

SPC数据采集与处理系统

SPC数据采集与处理系统实现了SPC数据的计算机采集与处理 ,大大提高了SPC分析的效率与准确性 ,对推动目前国内SPC应用 ,提高产品质量管理水平具有重要的现实意义。本文具体介绍了SPC数据采集与处理系统的结构与组成及软件实现和处理功能。     

某类线性系统的指数型二分性和概周期解及有界解的存在性

得到εdx/dt=A(t)x的扰动系统具有指数型二分性一个充分条件，作为应用得到其扰动系统概周期解及有界解的存在性，推广了[1,2,3]的结果。     

Monte Carlo Hamiltonian: Linear Potentials

We further study the validity of the Monte Carlo Hamiltonian method. The advantage of the method,in comparison with the standard Monte Carlo Lagrangian approach, is its capability to study the excited states. Weconsider two quantum mechanical models: a symmetric one V(x) = |x|/2; and an asymmetric one V(x) = ∞, forx ＜ 0 and V(x) = x, for x ≥ 0. The results for the spectrum, wave functions and thermodynamical observables are inagreement with the analytical or Runge-Kutta calculations.     

鲁棒稳定性分析的值映射与参数化方法

本文运用值映射与参数化的方法研究了鲁棒D稳定性问题。文中给出了主要结果——参数空间鲁棒分析的边界定理,作为该结果的应用,一些现代鲁棒分析的知名结果,例如多项式族的稜边定理,Kharitonov定理和菱形定理都被简洁地证明出来;给出了一种判定双参数多项式族D稳定的新方法。用该方法可以方便地确定H稳定多项式按一定摄动模式(区间方式和菱形方形)的最大摄动界。     

关于不含k-C-圈的n阶r-一致超图的若干结果

主要讨论了不含k-C-圈的n阶r-一致超图,对不同的k,分别得出了它的极大边数的一个下界,并且得出在有些情况下它的下界是最大的.另外,我们得到了Krn含k-C-圈的一个充分必要条件.     

掺钛蓝宝石脉冲可调谐激光器在实验室中的应用

介绍了掺钛蓝宝石可调谐激光器在实验室中的应用.自行设计了波长690~900 nm之间连续可调谐激光,单脉冲能量为5 mJ,重复频率为20 Hz,激励采用波长532 nm、能量35 mJ的倍频YAG激光器,经过调谐滤波器,输出连续可调谐激光.