Influence of temperature on phosphorescence spectra of Pd-porphine in Shpol’skii matrices

We have studied the temperature dependence of the radiative deactivation of the Pd-porphine triplet states in Shpol’skii matrices in the temperature range 1.2–210 K. A substantial transformation of the phosphorescence spectra is observed as the temperature increases and is due to the inclusion of thermally activated Pd-porphine states in the radiative deactivation processes. The activation energy E_a of these Pd-porphine states is measured in matrices of n-octane and n-nonane. The splitting of the lowest quasidegenerate triplet state ΔE(T₂−T₁) is determined for planar and distorted conformations of the Pd-porphine macrocycle in the n-octane matrix as 40 and 57 cm⁻¹, respectively. The ability to use the temperature dependence of the phosphorescence properties of Pd-porphine to fabricate molecular thermometers for the low-temperature range is analyzed. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 4, pp. 460–464, July–August, 2007.     

高压下某些导电高分子色散关系的研究

利用晶格动力学方法,研究在高压下几种导电高分子具有不同晶格链时的色散关系及其曲线的变化.链间耦合作用的减弱使横波与纵波的ω差值相应增大,且在BZ边界处拉开一个间隙,这是维度作用的结果.     

n维氢原子的散射态

研究了n维氢原子的散射态性质．给出了精确的按“k/2π标度”归一化的散射态的精确解波函数及相移表达式，讨论了相移的解析性质，获得了束缚-连续跃迁矩阵元的解析计算公式．普通氢原子(n=3)散射态的有关结果作为特例包含在本文的一般结论之中． 关键词： n维氢原子 散射态 精确解 相移 束缚-连续跃迁矩阵元     

A class of multivariate skew-normal models

The existing model for multivariate skew normal data does not cohere with the joint distribution of a random sample from a univariate skew normal distribution. This incoherence causes awkward interpretation for data analysis in practice, especially in the development of the sampling distribution theory. In this paper, we propose a refined model that is coherent with the joint distribution of the univariate skew normal random sample, for multivariate skew normal data. The proposed model extends and strengthens the multivariate skew model described in Azzalini (1985,Scandinavian Journal of Statistics,12, 171–178). We present a stochastic representation for the newly proposed model, and discuss a bivariate setting, which confirms that the newly proposed model is more plausible than the one given by Azzalini and Dalla Valle (1996,Biometrika,83, 715–726).     

Point-to-Periodic and Periodic-to-Periodic Connections

In this work we consider computing and continuing connecting orbits in parameter dependent dynamical systems. We give details of algorithms for computing connections between equilibria and periodic orbits, and between periodic orbits. The theoretical foundation for these techniques is given by the seminal work of Beyn in 1994, “On well-posed problems for connecting orbits in dynamical systems”, where a numerical technique is also proposed. Our algorithms consist of splitting the computation of the connection from that of the periodic orbit(s). To set up appropriate boundary conditions, we follow the algorithmic approach used by Demmel, Dieci, and Friedman, for the case of connecting orbits between equilibria, and we construct and exploit the smooth block Schur decomposition of the monodromy matrices associated to the periodic orbits. Numerical examples illustrate the performance of the algorithms. This revised version was published online in July 2006 with corrections to the Cover Date.     

广义酉矩阵与广义Hermite矩阵

给出了广义酉矩阵与广义(斜)Hermite矩阵的概念，研究了它们的性质及其与酉阵、共轭辛阵、Hermite阵、Hamilton及广义逆矩阵之间的联系；取得了许多新的结果；推广了酉矩阵、Hermite阵与斜Hermite阵间的相应结果，特别将正交阵的广义Cayley分解推广到了广义酉矩阵上；将各类酉矩阵、Hermite矩阵及广义逆矩阵统一了起来．     

ON OPTIMAL BACKWARD PERTURBATION ANALYSIS FOR THE LINEAR SYSTEM WITH BLOCK CYCLIC COEFFICIENT MATRIX

Based on the block style spectral decomposition, this paper deals with the optimal backward perturbation analysis for the linear system with block cyclic coefficient matrix.     

强流直线感应加速器中束流质心横向运动初步计算

 “神龙一号”强流脉冲加速器由72个直线感应加速腔和18个用于测试和真空泵接口的多功能腔组成。直线感应加速器的研制建造中磁轴对中偏差和聚焦磁场的自然偏差所引起的束流质心偏移轨道中心是不可避免的，由于束脉冲期间存在能散，使束流产生Corkscrew运动,导致束流品质变坏。而束脉冲期间的能散只能减小到一定水平，因此必需采取一定的措施抑制Corkscrew幅度的增长。在加速器的安装阶段，脉冲悬丝技术被应用于准直加速段聚焦磁场，并在磁轴准直测试的同时对磁场固有倾斜偏差进行初步校正。根据脉冲悬丝测试所得实验数据，采用传输矩阵法对加速段束质心轨迹进行了初步估计，计算中考虑了各加速腔聚焦磁场的倾斜和偏移误差。给出了计算结果和分析。     

Propagator matrices as matrices of power''s series. II. It''s relationship with HF''s stability problem and alternative solutions

Some non-singlet quasi-instabilities (QIs) cases that arise in the calculation of NMR-J parameters are analyzed within response theory. The relationship between ‘very close to zero’ eigenvalues of the principal propagator and the rate of convergency for specific coupling pathways is shown by a power series implemented to calculate the principal propagator matrix. A natural criterion for the analysis of the stability problem emerges from that series. This is more general and accurate compared with previous proposals. Its relationship with π-type molecular orbitals is given. We present an alternative scheme to minimize the effects of non-singlet QIs in such a way that the NMR-J parameters become close to the best theoretical calculations for H₂CX (X=CH₂, NH and O).