宽带膜厚实时监控过程中膜层折射率的确定方法

为了准确计算出镀膜过程中每层膜的折射率，介绍了实时监控过程中确定膜层折射率的2种方法：一种是由实测的透射比光谱直接反算出膜层的折射率；另一种是用最小二乘法的优化算法实时拟合折射率。试验结果表明：在线反算适合单点监控，所得折射率误差小于2%。然而在实际镀膜过程中,由于宽带内膜层参数误差较大,一般大于25%。为此，采用最小二乘法拟合，即在整个宽光谱范围内采集每个波长点的信息，所得结果误差很小，一般都在2％～5%之间,有时可达到10%,在很大程度上提高了实际镀膜时膜厚监控的精度。     

A Modified Quasi-Newton Method for Structured Optimization with Partial Information on the Hessian

This paper develops a modified quasi-Newton method for structured unconstrained optimization with partial information on the Hessian, based on a better approximation to the Hessian in current search direction. The new approximation is decided by both function values and gradients at the last two iterations unlike the original one which only uses the gradients at the last two iterations. The modified method owns local and superlinear convergence. Numerical experiments show that the proposed method is encouraging comparing with the methods proposed in [4] for structured unconstrained optimization Presented at the 6th International Conference on Optimization: Techniques and Applications, Ballarat, Australia, December 9–11, 2004     

Assisted Cloning and Orthogonal Complementing of an Arbitrary Unknown Two-Qubit Entangled State

Based on A.K. Pati‘s original idea [Phys. Rev. A 61 (2000) 022308] on single-qubit-state-assisted clone, very recently Zhan has proposed two assisted quantum cloning protocols of a special class of unknown two-qubit entangled states [Phys. Lett. A 336 (2005) 317]. In this paper we further generalize Zhan‘s protocols such that an arbitrary unknown two-qubit entangled state can be treated.     

烷基硫酸盐表面张力的量子化学研究

用AMl量子化学计算法优化了十三烷基硫酸根阴离子和——CH3在不同取代位的十二烷基硫酸根阴离子的几何构型，得到最优构型时最高占据分子轨道能级EHOMO、最低空轨道能级ELUMO、电子能量Eele和偶极矩μ等数据．将这些电子结构数据分别与表面张力相拟合，得到很好的相关性。文中讨论了——CH3在不同位置取代对表面张力的影响。     

解奇异非光滑方程组的牛顿法和不精确牛顿法

本文主要解决奇异非光滑方程组的解法。应用一种新的次微分的外逆，我们提出了牛顿法和不精确牛顿法，它们的收敛性同时也得到了证明。这种方法能更容易在一引起实际应用中实现。这种方法可以看作是已存在的解非光滑方程组的方法的延伸。     

Chemical bonding in isolated molecules and crystals of zwitterionic pentacoordinate silicon chelates

The electronic structures of a number of zwitterionic pentacoordinate silicon chelates were investigated using the results of X-ray diffraction studies and quantum-chemical calculatoins by the MPW1PW91/6-311G(d) method. The topological analysis of the electron density distribution function and the study in the framework of the natural bond orbital partitioning scheme showed that the character of chemical bonding in the axial fragments of the molecules under consideration changes from dative to three-center, four-electron as the silicon atom assumes a trigonal-bipyramidal coordination.     

Modified Three-Dimensional Formulations of Bending Problems of Homogeneous Plates and Beams under Complex Fixing Conditions

Modified three-dimensional formulations of bending problems of homogeneous elastic plates and beams are considered. Modification of the known three-dimensional formulations reduces to using additional constraints imposed on displacement functions. An advantage of the formulations proposed is that complex fixing conditions of plates and beams can be taken into account.     

夫琅禾费衍射公式的一般形式

从不同的途径导出了大角度情形下亦成立的夫琅禾费衍射积分的一般形式，指出此一般形式公式是求解夫琅禾费衍射的基本公式．并通过对夫琅禾费衍射公式的级数形式的推导，揭示了傅里叶光学中“夫琅禾费衍射公式”与一般形式公式存在的差别，以及消除这种差别的措施．此外，还较详细地讨论了倾斜因子对衍射花样的影响．这对于衍射测量及深入理解夫琅禾费衍射的本质有一定的指导意义．     

用于波分复用系统的多峰干涉滤光片

介绍了用于波分复用系统的多峰干涉滤光片的设计原理,提出了滤光片透射峰位置的确定方法,讨论了影响滤光片半宽度和截止度的因素,给出了滤光片的膜厚容差分析结果,表明透射率监控标准偏差在<0.5%范围内,可以得到波形良好的多峰滤光片,最后给出了实验结果.     

Synthesis and Crystal Structure of a Coordination Polymer {[Co(phth)(phen)(H2O)]·(C2H5OH)}n

The coordination polymer {[Co(phth)(phen)(H2O)]·(C2H5OH)}n (phth = phthalate, phen = 1,10-phenanthroline) with formula C22H20CoN2O6 (Mr = 467.33) was synthesized by the solvothermal method under low temperature, and its crystal structure was determined by singlecrystal X-ray diffraction. The complex belongs to monoclinic system, space group P21/n with a =12.7352(16), b = 8.8125(11), c = 18.677(2) (A), β = 102.633(2)°, V = 2045.3(4) (A)3, Z = 4, Dc =1.518 g/cm3,μ = 0.882 mm-1, F(000) = 964, S = 1.053, the final R = 0.0401 and wR = 0.0984 for 3135 observed reflections (I ＞ 2σ(I)). Single-crystal X-ray analysis revealed that the Co(Ⅱ) ion is six-coordinated. The cobalt complex forms a one-dimensional chain structure via phthalate bridging ligand. In the cobalt complex, a 3D network structure is formed by π-π stacking interaction of 1,10-phenanthroline as well as intermolecular hydrogen bonding interactions.