Calculation of Normal Vibrations of Chlorin by the Method of Density Functionals

Using the DFT/B3LYP method with a 6-31G(d) basis set, the structure, normal vibration frequencies, and the absolute band intensities in the IR spectra of the chlorin molecule and its four symmetric isotopomers have been calculated. Scaling of the force field by the Pulay method in independent and natural coordinates has been carried out. A method for obtaining effective force fields without using experimental data on the fundamental vibration frequencies is proposed. By comparing the vibration modes and constructing special matrices, complete assignment of the fundamental frequencies of porphin and chlorin has been carried out. It has been shown that the majority of porphin macroring vibrations upon pyrrolenine ring hydrogenation are frequency-characteristic and only 12 vibrations change considerably. A frequency correlation with regard for the mode transition between chlorin and all its isotopomers under consideration has been established. Comparative analysis of the force fields of porphin and chlorin in dependent natural coordinates has revealed the unique nonlocal character of the change in force constants of the macroring upon hydrogenation of one pyrrolenine ring. Modeling of the IR spectra of chlorin and its isotopomers has been performed. Assignment and interpretation of the normal vibrations of the molecules under consideration have been carried out.     

BIFURCATIONS OF ROUGH 3—POINT—LOOP WITH HIGHER DIMENSIONS

The authors study the bifurcation problems of rough heteroclinic loop connecting three saddle points for the case β1 > 1, β2 > 1, β3 < 1 and β1β2β3 < 1. The existence, number, coexistence and incoexistence of 2-point-loop, 1-homoclinic orbit and 1-periodic orbit are studied. Meanwhile, the bifurcation surfaces and existence regions are given.     

The Existence of Solutions to Sturm-Liouville Boundary Value Problems with Laplacian-like Operator

Abstract The existence of infinitely many solutions to Sturm-Liouville boundary value problem with aLaplacian-like operator is studied by applying generalized polar coordinates.     

椭圆强非局域空间光孤子

对傍轴椭圆高斯光束在具有椭圆对称响应特性的强非局域非线性介质中的演化规律进行研究，得到了光束各参量演化的精确解析解，分析了单向空间光孤子和强非局域椭圆空间光孤子的形成条件，发现了椭圆光孤子的相移与介质响应函数的椭圆率有关. 关键词： 椭圆对称强非局域响应介质 椭圆强非局域空间光孤子 相移     

Barycentric coordinates for convex sets

In this paper we provide an extension of barycentric coordinates from simplices to arbitrary convex sets. Barycentric coordinates over convex 2D polygons have found numerous applications in various fields as they allow smooth interpolation of data located on vertices. However, no explicit formulation valid for arbitrary convex polytopes has been proposed to extend this interpolation in higher dimensions. Moreover, there has been no attempt to extend these functions into the continuous domain, where barycentric coordinates are related to Green’s functions and construct functions that satisfy a boundary value problem. First, we review the properties and construction of barycentric coordinates in the discrete domain for convex polytopes. Next, we show how these concepts extend into the continuous domain to yield barycentric coordinates for continuous functions. We then provide a proof that our functions satisfy all the desirable properties of barycentric coordinates in arbitrary dimensions. Finally, we provide an example of constructing such barycentric functions over regions bounded by parametric curves and show how they can be used to perform freeform deformations.      

复杂像散椭圆光束的轨道角动量的实验研究

提出一种直接测量光束的轨道角动量的方法，其原理是把具有轨道角动量的光束照射到一个金属靶上，使其在光束的角动量作用下发生转动. 通过测量靶转动的角度来计算光束的角动量值. 对几种不同参数的光束的轨道角动量进行了测量，获得了轨道角动量与光束参数之间的关系，实验结果与理论分析较好地符合. 关键词： 复杂像散椭圆光束 轨道角动量 测量     

Robust Bayesian Inference for Seemingly Unrelated Regressions with Elliptical Errors

Bayesian inference is considered for the seemingly unrelated regressions with an elliptically contoured error distribution. We show that the posterior distribution of the regression parameters and the predictive distribution of future observations under elliptical errors assumption are identical to those obtained under independently distributed normal errors when an improper prior is used. This gives inference robustness with respect to departures from the reference case of independent sampling from the normal distribution.     

椭圆波导FEM放大器的非线性特性研究

 以椭圆波导、平板摇摆器为FEM放大器的模型，导出了自洽的注波互作用三维非线性方程组。在此基础上编制了相应的程序。利用该程序分析了FEM放大器的饱和功率、效率以及带宽等高频特性。考虑了摇摆器渐变、空间电荷波、电子初始速度零散对高频特性的影响。     

双包层椭圆光波导解析解

解析求解了双包层椭圆光纤中的波动方程，得到了模式精确解有模式特征方程。对基模的特征方程进行了数值计算，给出了不同椭圆比下的归一化双折射和模间色散随归一化频率的变化关系曲线，并与高斯近似解的结果进行了比较。