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.     

高斯拟合算法在光谱建模中的应用研究

采用高斯拟合算法对光谱进行特征提取,利用拟合得到的特征参量表征光谱信息,并结合多元校正方法对光谱模型进行优化和解释,建立了样品快速准确的测定方法。实验以玉米活体叶片为研究对象,建立叶片光谱与叶绿素含量之间的关系模型,采用三个高斯峰对原始光谱的1 551个数据拟合后,光谱数据转换为9个高斯特征量(约为整个波段的0.58%),进而利用该高斯特征量来预测叶绿素含量。实验结果显示,采用高斯拟合分别与偏最小二乘法和主成分回归结合建模,其预测集相关系数分别为0.960和0.962;不采用高斯拟合算法而直接采用偏最小二乘法和主成分回归对全光谱建模,其预测集相关系数分别为0.957和0.919。可见,将高斯拟合算法运用到定量分析模型中是可行的,该方法不仅简化了模型参数,而且提高了模型的可解释性。     

Complex geometrical optics of Kerr type nonlinear media

The paper generalizes paraxial complex geometrical optics (PCGO) for Gaussian beam (GB) propagation in nonlinear media of Kerr type. Ordinary differential equations for the beam amplitude and for complex curvature of the wave front are derived, which describe the evolution of axially symmetric GB in a Kerr type nonlinear medium. It is shown that PCGO readily provides the solutions of NLS equation obtained earlier from diffraction theory on the basis of the aberration-free approach. Besides reproducing classical results of self-focusing PCGO readily describes an influence of the initial curvature of the wave front on the beam evolution in a medium of Kerr type including a nonlinear graded-index fiber. The range of applicability of the PCGO theory is discussed as well which is helpful for avoiding nonphysical solutions.     

Fluctuations in the Bose Gas with Attractive Boundary Conditions

In this paper limiting distribution functions of field and density fluctuations are explicitly and rigorously computed for the different phases of the Bose gas. Several Gaussian and non-Gaussian distribution functions are obtained and the dependence on boundary conditions is explicitly derived. The model under consideration is the free Bose gas subjected to attractive boundary conditions, such boundary conditions yield a gap in the spectrum. The presence of a spectral gap and the method of the coupled thermodynamic limits are the new aspects of this work, leading to new scaling exponents and new fluctuation distribution functions.     

基于衍射模型的Z扫描理论

以菲涅耳－基尔霍夫衍射理论为基础，建立了非线性光学介质对高斯光束的衍射模型，从一种新的角度解释了Z扫描现象，这种理论不仅在小非线性相移的情况下与传播Z扫描理论的结果完全一致，而且还适用于大非线性相移的情况。数值计算表明，随着非线性相移的增大，原来近似对称的Z扫描曲线发生畸变，谷的透过率被饱和抑制而峰的透过率被增强。通过开孔的光功率随着入射激光功率的增加会出现振荡衰减现象。     

Low-lying states of 6He studied via the 6Li(t,3He)6He reaction

We present the recent experimental results on the ⁶He structure studied by the ⁶Li(t, ³He)⁶He reaction at 336 MeV. Above the conspicuous peaks for ground and first excited states for ⁶He, we have observed a broad structures at E _x∼ 5 MeV, and E _x∼ 15 MeV. The angular distribution of this structure exhibits the dominance of a ΔL = 1 transition, indicating the existence of intruder dipole states at low excitation energies in ⁶He. A slight admixture of positive-parity states in this structure has been indicated as well. Received: 1 May 2001 / Accepted: 4 December 2001     

Irradiance fluctuations of partially coherent super Lorentz Gaussian beams

By using the semi-analytic approach introduced earlier, we formulate and subsequently evaluate the irradiance fluctuations of partially coherent super Lorentz Gaussian beams for orders of 10 and 11. Within the range of examined source and propagation conditions, our calculations show that there will be less fluctuations at short propagation distances as the Lorentzian property is increased. But the reverse will be applicable, if the longer propagation distances are considered. The use of focusing will cause reductions, particularly for beams with increased Lorentzian property.     

一维受迫谐振子量子运动的经典特性

对经典一维受迫谐振子量子化,求解量子化后体系的时间演化算符.应用相空间准概率分布函数,研究了体系的量子特性.研究结果表明,初始为真空态,经过时间演化,系统波函数是一个二维高斯波包;波包中心的振幅和相位受到作用力的调制,成为调幅、调相波,波包中心的运动与经典受迫谐振子的运动形式相同.     

水平层状介质中电磁场并矢Green函数的一种快速新算法

本文利用提取直射波并结合自适应数字滤波等技术提出一种计算水平层状介质中电磁场并矢Green函数的快速算法. 首先将谱域Green函数中表征均匀介质作用的直射波提取出来并对其积分进行解析计算,这种处理降低了谱域Green函数的奇异性,可在很大程度上缩短其积分收敛区间. 然后在将谱域Green函数剩余部分对应积分转化为三个快速下降积分的基础上,引入一种自适应数字滤波算法对其进行快速求解. 最后通过具体算例验证了本文所述算法的有效性. 关键词： 并矢Green函数 快速算法 水平层状介质