7Li2分子23Πu激发态的解析势能函数、振动能级及其转动惯量

使用Gaussian03程序包中的“对称性匹配簇-组态相互作用”方法、在0.13—2.0nm的核间距范围内利用6-311 G(d,p)基组对7Li2(23Πu)分子的势能曲线进行了计算,同时使用最小二乘法将计算结果拟合成了解析势能函数.利用拟合出的解析势能函数并结合Rydberg-Klein-Rees方法,计算了该态的谐振频率,进而计算了该态的其他光谱常数,分别为Te=3.6701eV,De=1.0764eV,Re=0.3000nm,ωe=285.69cm-1,ωeχe=1.8351cm-1,αe=0.00942cm-1和Be=0.5340cm-1,其中光谱常数Te,De,Re和ωe的值与文献值相符很好.以得到的解析势能函数为基础,通过求解双原子分子核运动的径向Schr dinger方程,发现J=0时7Li2(23Πu)分子存在67个振动态,求出了相应于每一振动态的振动能级、振动经典转折点及转动惯量.     

A Method for Measuring the Three-Dimensional Refractive-Index Distribution of Single Cells Using Proximal Two-Beam Optical Tweezers and a Phase-Shifting Mach—Zehnder Interferometer

This paper describes a method for measuring the three-dimensional (3D) refractive-index distribution in a single cell. The method can be used to observe the distribution of cell components without fluorescence staining. The two-dimensional optical path length distributions from multiple directions are obtained by non-contact rotation of the cell. These optical path lengths are converted into the line integrals of the refractive index, and the 3D refractive-index distribution is reconstructed by means of computed tomography. The refractive-index distribution in a breast cancer cell can be measured using a phase-shifting Mach—Zehnder interferometer in conjunction with proximal two-beam optical tweezers.     

Calculation of stopping power for partially stripped ions using an oscillator model

Collision of swift ions with atoms was considered in this paper. The projectile and target atoms were modeled as assemblies of quantum oscillators and it was assumed that both, target and projectile could be excited or ionized, without charge exchange. The model presented here is an extension of the one given by Sigmund and Haagerup [Phys. Rev. A 34, 892 (1986)]. The number of electrons bound to the projectile, as a function of the projectile velocity, was used from Cabrera-Trujillo et al. [Phys. Rev. A 55, 2864 (1997)]. Contributions to energy loss from excitation of the projectile and targets were separately considered. It has been found that projectile excitation contributes up to 20% to the total energy loss in the lower energy region. Comparisons with other authors, including SRIM 2003, are also given and good agreement was found.     

用激光测量蔗糖溶液的旋光率及其浓度

采用激光测量了蔗糖溶液的旋光率及其浓度,利用计算机实时采集数据并输出图形,使实验具有直观、准确度高、操作简便等特点.     

Effects of metal irises on the guided-mode properties in asymmetrical slab waveguides

The diffraction phenomenon caused by metal transverse irises placed into an asymmetrical slab waveguide is examined by using the integral equation method. We concentrate on the possibility of controlling the radiation characteristics of the structure by changing the irises positions and the slab waveguide asymmetry. The aperture electric-field distribution is expressed in terms of a finite series of Chebyshev polynomials. The dominant TE guided-mode reflection and transmission coefficients, the near-field distribution and the far-field radiation pattern are calculated, while numerical results are presented for several cases of asymmetrical slab waveguides and different irises’ positions.     

The first-principles study of ferroelectric behaviours of PbTiO3/SrTiO3 and BaTiOn/SrTiO3 superlattices

We have performed the first-principles calculation to investigate the origins of ferroelectricities and different po- larization behaviours of superlattices BaTiO3/SrTiO3 and PbTiO3/SrTiO3. The density of state （DOS） and electronic charge profiles show that there are strong hybridizations between atoms Ti and O and between atoms Pb and O which play very important roles in producing the ferroelectricities of superlattices BaTiO3/SrTiO3 and PbTiO3/SrTiO3. Ow- ing to the decline of internal electric field in SrTiO3 （ST） layer, the tetragonality and polarizations of superlattices decrease with increasing the fraction of SrTiO3 in the superlattices. We find that the polarization of PbTiO3/SrTiO3 is largerthan that of BaTiO3/SrTiO3 at the same ratio of components, because the polarization mismatch between PbTiO3 and SrTiO3 is larger than that between BaTiO3 and SrTiO3. The polarization and tetragonality are en- hanced with respect to those of bulk tetragonal BaTiO3 in the superlattices BaTiO3/SrTiO3, while the polarization and tetragonality are reduced with respect to those of bulk tetragonal PbTiO3 in superlattices PbTiO3/SrTiO3.     

The millimeter wave rotational spectrum of pyruvic acid

The rotational spectrum of pyruvic acid has been investigated for the first time in the millimeter-wave region, at 160-314 GHz, and also in supersonic expansion, at 10-17.4 GHz. The analysis of the broadband spectra recorded in this work was carried out with the newly developed AABS software package for Assignment and Analysis of Broadband Spectra, and precise spectroscopic constants are reported for the ground state, the first excited state of the low-frequency skeletal torsional mode ν₂₄, and the first excited state of the methyl torsional mode ν₂₃. Limited results have also been obtained for several higher excited states. The dataset for the ground state currently exceeds 1500 lines and for both the A and E internal rotor sublevels spans the complete range of values of K_a at the mid values of J for the measured transitions. The results were analysed with three freely available computer programs employing different strategies for dealing with internal rotation and a comparative discussion of their merits is made.     

Frequency‐dependent NMR relaxation of liquids confined inside porous media containing an increased amount of magnetic impurities

Frequency‐dependent NMR relaxation studies have been carried out on water (polar) and cyclohexane (nonpolar) molecules confined inside porous ceramics containing variable amounts of iron oxide (III). The porous ceramics were prepared by compression of powders mixed with iron oxide followed by thermal treatment. The pore size distribution was estimated using a technique based on diffusion in internal fields that exposed a narrow distribution of macropore sizes with an average pore dimension independent of iron oxide content. The relaxation dispersion curves were obtained at room temperature using a fast field cycling NMR instrument. They display an increase of the relaxation rate proportional to the iron oxide concentration. This behavior is more prominent at low Larmor frequencies and is independent of the polar character of the confined molecules. The results reported here can be fitted well with a relaxation model considering exchange between molecules in the close vicinity of the paramagnetic centers located in the surface and bulk‐like molecules inside the pores. This model allows the extraction of the transverse diffusional correlation time that can be related to the polar character of the confined molecules. Copyright © 2013 John Wiley & Sons, Ltd.     

Internal waves in a two‐layer system using fully nonlinear internal‐wave equations

In order to understand the nonlinear effect in a two‐layer system, fully nonlinear strongly dispersive internal‐wave equations, based on a variational principle, were proposed in this study. A simple iteration method was used to solve the internal‐wave equations in order to solve the equations stably. The applicability of the proposed numerical computation scheme was confirmed to agree with linear dispersion relation theoretically obtained from variational principle. The proposed computational scheme was also shown to reproduce internal waves including higher‐order nonlinear effect from the analysis of internal solitary waves in a two‐layer system. Furthermore, for the second‐order numerical analysis, the balance of nonlinearity and dispersion was found to be similar to the balance assumed in the KdV theory and the Boussinesq‐type equations. Copyright © 2009 John Wiley & Sons, Ltd.     

Thomas rotation and Foucault pendulum under a simple unifying geometrical point of view

In this paper we show that there is a complete parallelism between the Foucault pendulum and the Thomas rotation phenomena by using the concept of parallel transport in a surface. In the case of the Foucault pendulum the surface is the ordinary sphere corresponding to the Earth sphere, whereas in the case of the Thomas rotation the surface is the pseudosphere corresponding to the space of relativistic velocities. Moreover, in both cases we use a simple method that reduces the problem to the parallel transport in a conical surface, and so, to the plane.