聚乙炔的CH面外振动红外光谱研究

采用从头计算方法，计算了反式和顺式聚乙炔的氢原子在垂直于聚乙炔分子面方向振动的红外光谱，计算表明，Gibson等用红外吸收实验所测得的谱线的确是聚乙炔的CH面外振动产生的谱线，经100℃长时间加热后，顺式聚乙炔变为反式聚炔，但波数为740cm^-1的谱级仍保留5％的强度。     

A Criterion for Spectrum Decomposition

We obtain a necessary and sufficient condition for the decomposition of the spectrum of an arbitrary nonsymmetric potential whose least value is attained at finitely many points.     

Spectroscopic studies of new model compounds for poly[N,N′-bis(phenoxyphenyl)pyromellitimide]

New model compounds for poly[N,N′-bis(phenoxyphenyl)pyromellitimide] have been synthesized in order to investigate the formation of imine bonds which are proposed to form during the curing process and lead to crosslinking in the bulk polymer. Raman studies show that terminal amines can react with imide carbonyls during curing to form C?N bonds. The Raman band due to C?N appears at 1656 cm^?1 and the band due to C?O closest to the imine bond is observed at 1742 cm^?1. These results are in agreement with previously published results on vapor deposited polyimide films.     

蒙特卡罗哈密顿新方案及其检验

蒙特卡罗哈密顿方法(MCH)是研究量子理论的数值模拟新方法, 其优点是可求出超出基态的能谱和波函数. 旧MCH方案需要自由粒子的信息, 较难推广应用于格点规范理论. 本文提出克服这个困难的新方案. 首先介绍这一方案的思想, 并以1维量子力学模型V(x)=μ²x²+λx⁴(其中μ²< 0,λ>0)为例说明实现这一新方案的具体计算步骤和方法.     

Analysis of Radiation Phenomena in a Wedge Ended Dielectric Slab Waveguide

Radiation phenomena observed in a wedge shape ended dielectric slab waveguide are analyzed using mode matching technique. The case of transverse electric polarization (TE) being parallel to dielectric slab waveguide is assumed. In order to describe the fields in the wedge region, a stack of dielectric plates is assumed and in each layer the fields are expanded in terms of the mixed spectrum of guided and radiated modes. A similar expansion is used in the constant thickness slab waveguide while in free space medium a continuous-radiation mode expansion is used. Then a mode matching approach is applied, incorporating the orthogonality properties of mixed spectrum modes, in order to compute the wave fields inside the dielectric slab waveguide and wedge medium. Mode matching is achieved by discretizing the continuous radiation mode spectrum leading into a numerically stable solution provided a sufficient large number of points are used to convert integrals into finite summations. Numerical computations are carried out for various wedge geometries and shapes including linear and exponential profiles.     

The semiclassical limit of a quantum Fermi accelerator

A classical Fermi accelerator model (FAM) is known to show chaotic behavior. The FAM is defined by a free particle bouncing elastically from two rigid walls, one fixed and the other oscillating periodically in time. The central aim of this paper is to connect the quantum and the classical solutions to the FAM in the semiclassical limit. This goal is accomplished using a finite inverted parametric oscillator (FIPO), confined to a box withfixed walls, as an alternative representation of the FAM. In the FIPO representation, an explicit correspondence between classical and quantum limits is accomplished using a Husimi representation of the quasienergy eigenfunctions.     

布尔“复合函数”的Walsh循环谱和自相关函数

本文利用布尔随机变量联合分布的分解式给出了布尔“复合函数”和某布尔函数符合率的分解算式,由此求得了布尔“复合函数”的 Walsh循环谱和自相关函数的计算公式,公式清楚地表明了“复合”所得布尔函数的 Walsh循环谱与起“复合”作用的函数和被“复合”的各函数所有线性组合的 Walsh循环谱之间的关系、“复合”所得布尔函数的自相关函数与起“复合”作用的函数谱和被“复合”的各函数的谱及相关函数之间的关系,这两个公式在布尔函数的密码学性质研究中会有广泛的应用.     

玻璃中CdSeS纳米晶体的室温光致发光谱

对掺有过饱和的镉、硒和少量硫的玻璃在500～800℃分别退火4h,生长了不同尺寸的CdSe_1-xS_x纳米晶体。测量了纳米晶体的室温吸收光谱和光致发光(PL)光谱,550℃生长的样品在300～800nm的范围没有观察到吸收和发光峰,表明温度低于550℃玻璃中不能形成纳米晶体。生长温度在600～650℃,纳米晶体的PL光谱主要为两个宽的发光带,即带边激子发光带和通过表面态复合的发光带。随着生长温度的升高,带边复合发光的蓝移减小,通过表面态的发光逐渐消失,并出现了叠加于宽发光带上的一系列明显的弱发射峰。不同温度生长的样品中,叠加峰的能量相同。同一样品中叠加峰的能量不随激发光波长的变化而变化。     

测定汞原子塞曼谱线相对强度

在原塞曼效应实验基础上，测定了塞曼分裂各谱线的相对强度，以作为原实验的补充．     

不锈钢丝网上薄膜TiO2光催化剂的Raman光谱研究

用Raman光谱方法来研究用Sol Gel法负载于金属丝网的薄膜TiO2 光催化剂的物相结构、厚度以及粒径大小。研究结果显示 ,薄膜达到一定厚度能够阻止基底Fe元素向薄膜表层的扩散 ;在 4 0 0℃下灼烧制得的薄膜TiO2 光催化剂具有锐钛矿晶型 ,而高于 4 0 0℃时 ,将出现金红石相TiO2 ;锐钛矿晶型TiO2 的Raman特征峰产生偏移 ,表明薄膜粒径的变化 ,通过计算表明 ,薄膜TiO2 的粒径为 10nm左右 ,TEM的分析结果也与之一致。