B_2分子X~3Σ_g~-和A~3Σ_u~-态的势能函数

使用SAC/SAC-CI方法,利用D95(d),6-311g**以及cc-PVTZ等基组,对B2分子的基态(X3Σg-)和第一激发态(A3Σu-)的平衡结构和谐振频率进行了优化计算.通过对3个基组的计算结果的比较,得出了D95(d)基组为3个基组中的最优基组的结论;使用D95(d)基组,利用SAC的GSUM(Group Sum of Operators)方法对基态(X3Σg-),SAC-CI的GSUM方法对激发态(A3Σu-)进行单点能扫描计算,用正规方程组拟合Murrell-Sorbie函数,得到了相应电子态的完整势能函数;从得到的势能函数计算了与基态(X3Σg-)和第一激发态(A3Σu-)相对应的光谱常数(Be,αe,ωe和ωeχe),结果与实验数据吻合.     

一类含参广义集值拟变分包含组的解的灵敏性分析

本文引入了一类新的含参广义集值拟变分包含组,应用隐预解算子技巧,建立了该类变分包含组与一类不动点问题的等价性,在适当的条件下,分析了含参广义集值拟变分包含组的解的灵敏性,所得结果推广改进了最新文献中的许多结果．     

The Lamb-dip spectrum of methylcyanide: Precise rotational transition frequencies and improved ground-state rotational parameters

Methylcyanide, CH₃CN, is an important interstellar species, and therefore the accurate knowledge of precise rest frequencies for rotational transitions as well as ground-state rotational and hyperfine constants is needed. In this work the hyperfine structure of the millimeter- and submillimeter-wave spectra of CH₃CN has been further investigated. In addition, accurate THz measurements have been carried out for the first time. Consequently, the present investigation allowed us to provide the most accurate ground state rotational and hyperfine parameters known at the moment for CH₃C¹⁴N. To resolve the hyperfine structure of the rotational transitions observed, the Lamb-dip technique has been exploited. Both frequency-modulated and video-type detections have been employed.     

Surface structures formed by individual adsorption and coadsorption of Mn and Bi on Cu(0 0 1), studied by LEED

We have studied the individual adsorption of Mn and Bi, and their coadsorption on Cu(0 0 1) by low-energy electron diffraction (LEED). For Mn, we have determined the c(2 × 2) structure formed at 300 K, whose structure had been determined by several methods. We reconfirmed by a tensor LEED analysis that it is a substitutional structure and that a previously reported large corrugation (0.30 Å) between substitutional Mn and remaining surface Cu atoms coincides perfectly with the present value. In the individual adsorption of Bi, we have found a c(4 × 2) structure, which is formed by cooling below ∼250 K a surface prepared by Bi deposition of ∼0.25 ML coverage at 300 K where streaky half-order LEED spots appear. The c(4 × 2) structure has been determined by the tensor LEED analysis at 130 K and it is a substitutional structure. In the coadsorption, we found a c(6 × 4) structure, which has been determined by the tensor LEED analysis. It is very similar to the previously determined structure of the c(6 × 4) formed by coadsorption of Mg and Bi, and embedded MnBi₄ clusters are arranged in the top Cu layer instead of MgBi₄. Large lateral displacements of Bi atoms in the c(6 × 4)-(Mn + Bi) suggest that the Mn atoms undergo the size-enhancement caused by their large magnetic moment.     

Challenging Students to View the Concept of Area in Triangles in a Broad Context: Exploiting the Features of Cabri-II

This study focuses on the constructions in terms of area and perimeter in equivalent triangles developed by students aged 12–15 years-old, using the tools provided by Cabri-Geometry II [Labore (1990). Cabri-Geometry (software), Université de Grenoble]. Twenty-five students participated in a learning experiment where they were asked to construct: (a) pairs of equivalent triangles “in as many ways as possible” and to study their area and their perimeter using any of the tools provided and (b) “any possible sequence of modifications of an original triangle into other equivalent ones”. As regards the concept of area and in contrast to a paper and pencil environment, Cabri provided students with different and potential opportunities in terms of: (a) means of construction, (b) control, (c) variety of representations and (d) linking representations, by exploiting its capability for continuous modifications. By exploiting these opportunities in the context of the given open tasks, students were helped by the tools provided to develop a broader view of the concept of area than the typical view they would construct in a typical paper and pencil environment.     

Method of lines with boundary elements for 1‐D transient diffusion‐reaction problems

Time‐dependent differential equations can be solved using the concept of method of lines (MOL) together with the boundary element (BE) representation for the spatial linear part of the equation. The BE method alleviates the need for spatial discretization and casts the problem in an integral format. Hence errors associated with the numerical approximation of the spatial derivatives are totally eliminated. An element level local cubic approximation is used for the variable at each time step to facilitate the time marching and the nonlinear terms are represented in a semi‐implicit manner by a local linearization at each time step. The accuracy of the method has been illustrated on a number of test problems of engineering significance. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 2006     

Roles of SiH4 and SiF4 in growth and structural changes of poly-Si films

The structural properties of polycrystalline silicon films, prepared by plasma enhanced chemical vapor deposition system, with different flow rates of SiH₄/SiF₄ mixtures at 300 °C were investigated. This study indicates that the low hydrogen coverage on the growing surface, under optimum fluorine radicals, will be leaded to an improvement of crystallized area as compared with case of high hydrogen coverage surface. Moreover, the studies of the role of SiH₄ and SiF₄ radicals show that the SiH₄ radicals are important in the nucleation and growth of grains. However, SiF₄ radicals are effective in the structural change of grain boundaries regions and by this way, in the present system, establish the growth of grains under the dominant 〈1 1 0〉 direction. The stress investigation indicates that addition of high flow rate of SiF₄ in amorphous film, results in the nearly stress free films. Finally, we found that the changes in g-value reflect the changes in the intrinsic compressive and tensile stress in the both polycrystalline and amorphous silicon films.     

Effect of the Parameters of Three-Mirror Resonators on the Spectral Characteristics of Single-Pulse Laser Generation with Self-Injection of Priming Radiation

Based on a semiclassical theory, investigations were made of the dynamics and spectral composition of pulsed generation with self-injection of priming radiation from the active part of a three-mirror linear resonator, the passive part of which contains an active loss modulator and serves as the output reflector of the laser. It is shown that there exists a range of resonator parameters at which pulsed lasing has virtually a single frequency irrespective of the detuning of the frequencies of the priming radiation and of the nearest eigenmode of the composite resonator. Considering graphically the phase conditions of generation, it is established that among pulsed lasers with self-injection of priming radiation which are constructed on the basis of three-mirror linear and branched resonators, the most efficient for creating single-frequency generation are those in which the length of the main resonator, where generation of the pulse occurs, is larger than the length of the additional one intended for forming the priming radiation. With an inverse ratio of the lengths of the resonators, the conditions of single-frequency pulsed generation becomes dependent on the priming radiation frequency.     

一类机器人系统的最优控制

本文通过把结构阻尼系数当作控制变量来讨论一类弹性机器人系统的最优控制问题 ,并利用Banach空间几何性质证明了最优控制元的存在唯一性     

理想气体在热力学中的作用

指出热力学理论是普遍的,不依赖于理想气体.理想气体为热力学理论提供了一个简单的实例,为测量热力学温度提供了一种简单的温度计.