Investigations on analytic potential energy function,spectroscopic parameters and vibrational manifolds （d = 0） of the SD^＋（X^3∑^-） ion

This paper investigates the spectroscopic properties of the SD + (X 3 Σ ) ion by employing the coupled-cluster singles-doubles-approximate-triples [CCSD(T)] theory combining with the quintuple correlation-consistent basis set augmented with diffuse functions (aug-cc-pV5Z) of Dunning and co-workers. The accurate adiabatic potential energy function is obtained by the least-squares fitting method with the 100 ab initio points, which are calculated at the unrestricted CCSD(T)/aug-cc-pV5Z level of theory over the internuclear separation range from 0.09 to 2.46 nm. Using the potential, it accurately determines the spectroscopic parameters (D e , ω e χ e , α e and B e ). The present D e , R e , ω e , ω e χ e , α e and B e results are of 3.69119 eV, 0.13644 nm, 1834.949 cm 1 , 25.6208 cm 1 , 0.1068 cm 1 and 4.7778 cm 1 , respectively, which are in remarkably good agreement with the experimental findings. A total of 29 vibrational states has been predicted by numerically solving the radial Schro¨dinger equation of nuclear motion when the rotational quantum number J equals zero. The complete vibrational levels, classical turning points, inertial rotation and centrifugal distortion constants are reported when J = 0 for the first time, which are in good accord with the measurements wherever available.     

基于图像集拓扑中心的群体配准方法

传统的图像配准通常指定一幅参考图像在配准过程中保持不变,将另一幅图像变换到参考图像空间,使得两幅图像在空间上互相匹配,从而可以精确比较两者之间的差异.针对多幅个体差异较大的图像配准问题,如果指定一幅作为参考,将其他图像配准到参考图像空间,则会引入该幅参考图像的个体形状偏差,从而影响最终的对比结果.为此,本文首先介绍了目前针对该问题的主要解决方法,然后提出了基于图像集拓扑中心的群体配准方法——TopologyCenter.为验证所提出的群体配准方法的性能,通过使用国外公开的数据集,详细比较了本文提出的方法与当前两种主要方法的群体配准结果的差异.实验结果表明,本文提出的方法具有更小的群体配准偏差,群体配准结果更好;同时,在对实验结果的评价中,本文还提出了一种简捷的群体偏差度量指标.     

安全传送明文的量子直传实验方案设计

乒乓直传协议是一种新颖的量子直传通信协议。基于量子纠缠特性,乒乓协议允许绝对安全地进行明文直接通信和渐进地进行密钥安全分发。是一种绝对安全的即时通信协议。该量子直传协议将来有望成为安全稳定的光量子通信的主流方式。然而,目前还没有该协议的物理实现方案。分析了乒乓直传协议的工作原理．给出了该协议的流程图,进而分析了协议的物理实现机制,结合纠缠光子源、自由空间单光子路由控制和单光子检测技术,提出了在自由空间中实现乒乓直传协议的实验技术方案,并设计出了乒乓直传协议的实验装置。此实验技术方案为从实验角度进一步研究乒乓协议,以及未来此协议的商业化应用提供了参考。     

一种智能照明控制系统的设计与实现

针对目前智能照明系统只能根据环境光强变化来调节亮度等问题,提出一种基于STC90c516系列单片机的智能照明控制系统,通过对环境光强的检测和人体红外信号的探测,将实时数据传送给控制器,控制器识别并分析结果,输出至驱动,实现智能调节灯具亮度的效果。实验证明,智能照明控制系统操作简单,并具有良好的扩展性。     

Double Electron Processes in Collisions of Partially Stripped Ions C^q＋ （q = 1-4） with Helium

The multi-electron processes are investigated for 17.9-120 keV/u C^1＋, 30-323 keV/u C^2＋, 120-438 keV/u ^C3＋, 287-480 keV/u C^4＋ incident on a helium target. The cross-section ratios of double electron （DE） process to the total of the single electron （SE） and the double electron process （i.e. SE＋DE）, the direct double electron （DDI） to the direct single ionization （DSI） as well as the contributions of DDI to DE and of TI to DE are measured using coincidence techniques. The energy and charge state dependences of the measured cross-section ratios are studied and discussed.     

Cu(Ⅱ)-DAAB-SDBS-Triton X-100新显色体系的研究

本文对邻,邻′-二氨基偶氮苯(DAAB)的合成方法进行了改进,用改进过的方法合成DAAB简便、快速、产率较高、产品稳定、价廉。并对Cu(Ⅲ)-DAAB-SDBS-TritonX-100新显色体系作了系统的研究。在pH4到6的醋酸盐缓冲溶液中,在十二烷基苯磺酸钠(SDBS)和TritonX-100存在下,Cu(Ⅱ)与DAAB形成红色络合物。Cu(Ⅱ)-DAABSDBS-TritonX-100四元体系在530nm处摩尔吸光系数为1.0×10~4 1.mol~(-1)·cm~(-1)。铜量在0.20—5.6ppm范围内服从比耳定律,本体系选择性好。它是分光光度法测定铜的良好的新显色体系。     

吸附树脂对模拟氰化液中Au（Ⅰ）的吸附性能研究

测定了HW型吸附树脂对模拟氰化液中Au(Ⅰ)的静态吸附能力，研究影响吸附的一些因素。结果表明，HW树脂在中性条件下对Au(Ⅰ)的吸附量与活性炭接近，碱性条件下吸附量降低较多。某些胺的存在可使树脂吸金量提高十倍。树脂的解吸性能良好，解吸效率接近100％。     

基态O和D原子的低能弹性碰撞及OD（X2Π）自由基的准确解析势与分子常数

利用CCSD（T）理论及相关一致五重基aug-cc-pV5Z构建了OD（X²Π）自由基的相互作用势, 计算了这个自由基的光谱常数D₀, D_e, R_e, ω_e, ω_eχe及B_e, 其值分别为44574,46225?eV,009702 nm, 2724923,453534和100096 cm^-1, 均与实验结果相符很好. 利用这一相互作用势, 在绝热近似下通过数值求解双原子分子核运动的径向薛定谔方程, 找到了J=0时OD（X²Π）自由基存在的全部23个振动态, 完整地求出了每一振动态的振动能级、振动经典转折点、惯性转动常数和离心畸变常数, 其值与实验结果相当一致. 在10×10^-11—10×10^-3a.u.的能量范围内研究了基态O和D原子沿OD（X²Π）势能曲线的弹性碰撞, 计算了这一碰撞的总截面和各分波截面, 分析了各分波截面对总截面的不同贡献. 结果表明: 总截面的形状主要由s分波截面决定, 尽管直到l = 12的其他分波截面均有形状共振存在, 但由于其强度较弱, 大都湮没在较强的s分波截面中. 关键词： 弹性碰撞 总截面 形状共振 光谱常数     

Ab initio calculation of accurate dissociation energy, potential energy curve and dipole moment function for the A1∑ + state 7LiH molecule

The reasonable dissociation limit of the A¹∑⁺ state $^{7}$LiH molecule is obtained. The accurate dissociation energy and the equilibrium geometry of this state are calculated using a symmetry-adapted-cluster configuration-interaction method in complete active space for the first time. The whole potential energy curve and the dipole moment function for theA¹∑⁺ state are calculated over a wide internuclear separation range from about 0.1 to 1.4\,nm. The calculated equilibrium geometry and dissociation energy of this potential energy curve are of R_{\e}=0.2487\,nm and D_{\e}=1.064\,eV, respectively. The unusual negative values of the anharmonicity constant and the vibration-rotational coupling constant are of \textit{\omega }_{\e}\textit{\chi }_{\e}=--4.7158cm^{ - 1} and \textit{\alpha }_{\e}=--0.08649cm^{ -1}, respectively. The vertical excitation energy from the ground to the A¹∑⁺ state is calculated and the value is of 3.613\,eV at 0.15875nm (the equilibrium position of the ground state). The highly anomalous shape of this potential energy curve, which is exceptionally flat over a wide radial range around the equilibrium position, is discussed in detail. The harmonic frequency value of 502.47cm¹ about this state is approximately estimated. Careful comparison of the theoretical determinations with those obtained by previous theories about the A¹∑⁺ state dissociation energy clearly shows that the present calculations are much closer to the experiments than previous theories, thus represents an improvement.