Ab initio multi-reference configuration interaction of the low-lying states of the AsP molecule

Nine low-lying electronic states of the AsP molecule, including Σ , Ⅱ, and △ symmetries with singlet, triplet, and quintet spin multiplicities, are studied using multi-reference configuration interaction method.The potential energy curves and the spectroscopic constants of these nine states are determined, and compared with the experimental observed data as well as other theoretical works available at present.Three quintet states are reported for the first time.Furthermore, the analytical potential energy functions of these states are fitted using Murrell-Sorbie function and least square fitting method.     

有耗孤子的最小作用量原理及其在二维光子带隙结构中的应用

采用变分方法对于二维矩形光子带隙结构中X点孤子的耗散以及相干作用进行了动力学分析.通过对由作用量原理得到的孤子参量联立方程组的分析可知，除了耗散作用导致孤子的幅度衰减，并引起孤子横向的展宽以外，同向孤子的相互作用负势函数为耗散作用所减弱，从而使得孤子在x方向的束缚态被削弱.孤子中心间距随x的增加呈现出增幅变化且波动周期增大，当纵向距离增大到一定值后，孤子中心间距将一直增大下去.     

基于遗传算法的安溪铁观音品质快速评价研究

为探究一种快速无损的安溪铁观音品质评价方法,利用遗传算法(GA)对茶样的近红外光谱特征波长进行筛选,结合偏最小二乘(PLS),建立全谱段的PLS定量模型与GA-PLS模型。结果表明,傅里叶变换近红外(FT-NIR)全谱段光谱在经过平滑+二阶导数+归一化处理后,PLS模型预测性能最高,建模结果为：校正集相关系数R_C=0.921,校正集均方根误差RMSEC=0.543,验证集相关系数R_P=0.913,验证集均方根误差RMSEP=0.665。选用近红外光谱6 670～4 000 cm-1谱区,采用遗传算法进行特征波长筛选,参与建模数据点数从1 557缩减到408个。优选波段后,GA-PLS建模结果为：校正集相关系数R_C=0.959,校正集均方根误差RMSEC=0.413,验证集相关系数R_P=0.940,验证集均方根误差RMSEP=0.587。可见,GA-PLS模型的校正集和验证集的预测结果均优于全谱段PLS模型。结果说明,在传统的近红外光谱技术结合化学计量学方法的建模基础上,加入遗传算法进行波长筛选,能有效提高模型预测能力,实现方法学的创新研究,且GA-PLS品质评价模型具有较强的参考和推广价值,为提高我国茶叶品质的检测技术水平提供新的方法借鉴。     

Controls over spatial and seasonal variations on isotopic composition of the precipitation along the central and eastern portion of Brazil

Based on Global Network Isotopes in Precipitation (GNIP) isotopic data set, a review of the spatial and temporal variability of δ¹⁸O and δ²H in precipitation was conducted throughout central and eastern Brazil, indicating that dynamic interactions between Intertropical and South Atlantic Convergence Zones, Amazon rainforest, and Atlantic Ocean determine the variations on the isotopic composition of precipitation over this area. Despite the seasonality and latitude effects observed, a fair correlation with precipitation amount was found. In addition, Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) air mass back trajectories were used to quantify the factors controlling daily variability in stable isotopes in precipitation. Through a linear multiple regression analysis, it was observed that temporal variations were consistent with the meteorological parameters derived from HYSPLIT, particularly precipitation amount along the trajectory and mix depth, but are not dependent on vapour residence time in the atmosphere. These findings also indicate the importance of convective systems to control the isotopic composition of precipitation in tropical and subtropical regions.     

基于高光谱成像技术的番茄叶片灰霉病早期检测研究

提出了独立软模式法(SIMCA)的番茄叶片灰霉病特征波段图像的提取,并通过多元线性回归法(MLR)提取波段融合图像,通过最小距离法获取番茄灰霉病患病信息的技术路线。利用680～740 nm波段的方差图像和建模能力参数提取的特征波段,并作为输入变量进行MLR分析,在0.5准确率阈值下,准确率均大于99%,说明特征波段可以实现番茄叶片灰霉病的检测,并利用MLR回归系数提取波段融合图像,通过最小距离法获取番茄灰霉病患病信息,结果表明所提出的方法具有很好的预测能力,为番茄灰霉病的早期检测提供了一种新方法,且大大降低了高光谱图像的数据处理时间。     

大口径KDP晶体角度相位匹配离线测量精度研究

为满足惯性约束聚变(ICF)实验对激光驱动器高效三倍频能力的要求, 对离线测量晶体角度相位匹配方案进行了优化。采取的主要优化措施是：提高晶体准直技术能力;降低模拟小口径激光输出变化对测量不稳定性的影响。通过理论分析和对实际测量结果的系统分析,得到了晶体离线测量的不确定度：其中二倍频相位匹配角测量扩展不确定度为15.94 rad,三倍频相位匹配角测量扩展不确定度为27.8 rad,达到了较高的晶体离线测量精度要求。     

Determination of the refractive index of spherical erythrocytes of human blood in the range 0.3–1.2 µm

A proposed procedure for determining the spectral values of the refractive index of spherical erythrocytes of human blood is based on angular light scattering and the use (for one-time scattering) of a multiple regression equation. A theoretical study of the stability of the relationship between the light scattering indicatrix and the refractive index of erythrocytes toward possible variations of their microstructure parameters is performed in order to select the optimal angles. The precision of the proposed method and its sensitivity to indicatrix measurement uncertainties are estimated. __________ Translated from Zhurnal Prikladnoi Spektroskopii Vol. 74, No. 3, pp. 382–386, May–June, 2007.     

紫外光谱法监测阿司匹林合成体系中的阿司匹林和水杨酸

建立一种同时快速定量分析阿司匹林合成体系中阿司匹林和水杨酸的方法。通过均匀设计构造样本并采集其紫外光谱,结合偏最小二乘法（PLS）建立同时测定混合体系中阿司匹林和水杨酸的校正模型,阿司匹林和水杨酸模型的校正均方根误差分别为1.708μg/mL和0.435μg/mL。该模型用于预测氨基磺酸催化合成过程中阿司匹林和水杨酸含量,二组分回收率在93.48%—108.37%之间,相对标准偏差（RSD）分别为3.45%和4.80%。结果表明,紫外光谱法结合PLS模型实现氨基磺酸催化合成阿司匹林过程的实时监测是可行的。     

传感器的补偿及回归精度分析

本文讨论了传感器输入与输出的关系以及所采取的线性补偿及非线性补偿方法，得出了经验公式及回归精度。     

电磁波在左右手介质界面折射与反射特性的研究

研究了电磁波在左右手介质界面折射与反射的特性,给出了折射系数和反射系数,从另外一个方面探讨了最小作用量原理在左手材料中的适用性;从电动力学和最小作用量原理证明了Snell定律,验证了Snell定律在左手材料中的适用性,并且得到Fresnell公式在左右手材料中的一致性.