平板宽波导光场分布及极化模

平板宽波导CO₂激光器波导内光场分布满足亥姆霍兹方程。在给定条件下,对光场分布方程进行求解,获得了极化模 EH_nm^x和EH_nm^y 的表达式。通过计算机计算,得出了在3×8 mm²波导放电区中所存在的EH_1.16极化模归一化理论分布曲线,其曲线与实验观测结果符合得很好。     

Ag（110）表面声子谱的分析型EAM模型计算

应用晶格动力学，结合分析型EAM模型，计算了Ag(110)表面声子频率和振动极化方向，通过比较弛豫与未弛豫表面的计算结果，发现弛豫后的结果与He原子散射实验数据符合得很好，表面振动的极化局域特征符合表面的二维对称性，沿方向的S2和S3表面模也和实验结果—致. 关键词： 表面声子谱 弛豫 EAM 极化     

SrBi4Ti4O15的化学键性质和铁电性研究

通过原子环境计算方法分析了正交相SrBi₄Ti₄O₁₅晶体内的键络结构、各原子的空间配位数及局域团簇结构. 在此基础上, 结合晶体分解理论将SrBi₄Ti₄O₁₅晶体分解为多个二元赝晶体, 根据化学键介电理论计算得到各赝晶体所对应化学键的有效价电子密度、离子性等化学键性质. 通过键偶极矩建立了铁电体自发极化强度与化学键性质之间的关系, 求得正交相SrBi₄Ti₄O₁₅沿a轴方向的自发极化强度为28.03 μC/cm², 与实验结果和其他理论计算值符合较好.     

P原子的光学模型势与核极化修正

基于SIC-X_α的较为严格的计算方法,对于Rydberg电子态的交换参数采用自洽场模型计算核极化,结果比文献[15[的计算方法要精确.另外文献[15]在计算P²³⁸U的能级跃迁时,模型还不够完善,存在着难以克服的弊端,计算结果也不可能准确.20世纪70年代初,Batty就进行强相互作用势模型的研究,经过二十几次不断探索与改进,在1997—2000年给出了光学模型势的正确形式.对Rydberg电子态的交换参数采用自洽场模型计算核极化,用以修正Batty光学模型势下的P²³⁸U能级跃迁,得到反质子原子的相应能级.结果与实验数据相当符合.连同π^-,K^-,∑^-,Ξ^-原子的情况支持了Batty光学模型势在描写核子间强相互作用的正确性,同时也表明计算核极化的方法是正确的,为反粒子原子及奇特原子的深入研究及应用提供了理论依据.     

弱时间简谐电场中类氢原子的变分微扰计算Ⅱ:激发态(21±1)和(32±2)

本文是文献[4]的续篇,采用基于Schrödinger方程流体动力学相似模型的变分微扰法计算了弱时间简谐电场中类氢原了H、He⁺、Li⁺²、Be⁺³、B⁺⁴激发态(21±1)和(32±2)的扰动波函数以及极化率与第一共振频率,讨论了电子云随时间的变化。结果表明,极化率与第一共振频率的计算值与精确值值符合得很好。结果再次表明,在应用变分微扰法计算极化率时,振幅微扰项∈与幅角项S是同等重要的。本文及文献[4]的工作部分地完成了Askar等人在文献[3]中宣布将要进行的工作。     

C~+离子内壳激发共振态1s2s(~3S)2p~3的Auger能量和Auger分支率(英文)

利用精确的鞍点变分波函数和鞍点复数转动方法,计算了C⁺离子五电子原子系统内壳激发共振态1s2s（³S）2p^32,4P°,^2,4D°的俄歇能量和俄歇分支率,考察了俄歇跃迁的收敛性,对300 keV C⁺离子和CH₄气体碰撞实验产生的高分辨率俄歇电子谱进行了标定,并指出这些类硼C⁺离子的内壳激发共振态对253～273 eV范围的实验谱线有重要贡献.本文计算结果与实验数据符合得很好.     

Ru原子Rydberg态的能级结构

本文描述用激光共振激发-场电离方法测量Ru原子的4d⁷(⁴F)ns系列和4d⁷(⁴F)nd系列Rydberg态的能级结构,对可能的多重态的相对谱线强度进行了计算。理论计算与实验结果符合得很好,由此可以确定出观测到的各谱线的光谱项。 关键词：     

液晶SmC*相自发极化的统计理论

采用格胞模型，定义在格胞中心上的极化序参量．选用双轴性并具有横向电矩的分子作用势，求得系统的自由能，得到自发极化强度的大小和螺旋变化螺距的表达式．计算了DOBAMBC和3M2CPOOB等4种典型SmC^*相液晶的自发极化强度大小和螺距随温度的变化及其受分子横向电矩的影响，结果与实验相符．表明SmC^*相的自发极化强度主要产生于分子的双轴性和横向电矩． 关键词：     

立方磁晶各向异性对面内磁场中条畴和磁泡稳定性的影响

在八个(111)面磁泡膜上,观察了施加面内(in-plane)磁场后在不同晶轴方向上条状畴的消失过程,测量了条畴消失场H_s^*和磁畴消失场H_k^*与面内磁场的方向的关系。本文计及立方磁晶各向异性,完善了面内磁场中条畴的稳定性理论。用该理论定性地解释了实验结果的主要特点。导出了H_s^*与立方各向异性及面内场方向的两种近似的理论关系,它们分别适用于面内场方向靠近和不十分靠近〈110〉晶轴的情形。它们和实验结果是大致符合的。在〈110〉晶轴上,理论关系具有下列简单的形式:H_k^*<110>=H_s^*<110>=H_k{1+(k₁/2K_u)-[al/h(4πM_s/H_k)²]^2/3},此式与实验结果符合得相当好。 关键词：     

原子实极化效应和钠原子s系列高Rydberg态能级寿命的计算

利用相关效应的模型势方法计算了钠原子Rydberg态s系列的能级寿命.此理论方法不依赖于实验参数.计算结果很好地符合实验值，并证实了这一理论模型的合理性. 关键词： 原子实极化 Rydberg态 跃迁矩阵元 辐射寿命     

Electronic polarizabilities and sizes of ions in AN B10−N type semiconductors

Electronic polarizabilities and sizes of ions in A^N B^10?N type semiconductors (PbS, PbSe, PbTe and SnTe) have been deduced in the present study. The free ion polarizabilities of Sn²⁺ and Pb²⁺ ions are estimated approximately following the procedure of Pauling. The effect of crystalline potential is then estimated on free cation polarizabilities. An empirical relation between ionic radii and polarizabilities has been applied to deduce the ionic sizes and anion polarizabilities. The calculated molecular electronic polarizabilities agree well with the experimental values. The variation of dielectric constant with strain has also been estimated in each crystal and the results are explained in terms of the optical anisotropy parameter.     

The dipole polarizability of the hydrogen molecular cation HD+ and other isotopomers

Fully non-adiabatic calculations are reported of the electric dipole polarizabilities for the N = 0 and N = 1 levels of the ground electronic states of H⁺ ₂ (ν ≤ 16), D⁺ ₂ (ν ≤ 24) and HD⁺ (ν ≤ 20). For H⁺ ₂ (ν = 0, N = 0) the calculated value still differs from the experimental value; this difference cannot be explained by the inclusion of higher order contributions.     

Long range interactions of the Mg+ and Ca+ ions

The polarizabilities of the low lying states of the Mg⁺ and Ca⁺ ions are evaluated by diagonalizing the semi-empirical Hamiltonians in a large dimension single electron basis. The quadrupole moment of the metastable 3d state Ca⁺ is also calculated and is within 1% of a recent experimental value while being 5% smaller than some large ab-initio calculations. In addition, the long range dispersion coefficients for these ions interacting with a number of atoms are given. Oscillator strengths are also given and generally agree with the most sophisticated ab-initio calculations. The polarizabilities and dispersion coefficients can be used to estimate the frequency shifts of the Ca⁺ 4s ↦ 3d clock transition due to background electric fields and also collisions with a buffer gas.     

Static polarizabilities of helium and alkali atoms,and their isoelectronic ions

A rather simple method of calculation of the scalar and tensor components of static polarizability was developed for a wide range of atoms and ions. The general formulas for polarizabilities of SL terms, J levels, and F components of hyperfine structure are given. The results of calculation for ground and some excited states of He and alkali atoms (Li, Na, K, Rb, Cs) are presented. The comparison of the results with available theoretical and experimental data shows that, in most cases, the differences do not exceed 10%. The polarizabilities for the Li+, Be+, B²+, C³+, Ne⁷+, Mg+, Al²+, Si³+, Ar⁷+, Ca⁺, Sc²+, Ti³+, Sr⁺, and Ba⁺ ions are also given.     

D-wave specific heat in Y-123 and Bi-2212 single crystals: new data,alternative explanation

The low temperature specific heat of Bi-2212 and Y-123 is measured for 1.2≤T≤7K and 0≤B≤14 T. We find that the field-induced “linear” term λ^*(B)?λ^*(0) near 1–3K saturates for B≥8 T, decreases as a function of temeprature, and has nearly the same amplitude for both compounds. This is not easily reconciled with the predicted d-wave contribution C∝γT(B/B_c2)^1/2. Oscillations of 2D vortices offer an alternative explanation.     

Experimental Study of Natural Convection from Electrically Heated Vertical Cylinders Immersed in Air

Abstract

An experimental study of laminar steady-state natural convection heat transfer from electrically heated vertical cylinders immersed in air has been undertaken. Three stainless steel (316 SS) test sections of different slenderness ratios were employed. Surface temperature profiles along the vertical cylinders were obtained using miniature thermocouples when the cylinders were heated with different power levels resulting in different total wall heat fluxes. After the mandatory corrections for the radiation heat fluxes were made, three correlation equations relating the local Nusselt number Nu_y with the local modified Rayleigh number Ra^* _y and the position-to-cylinder diameter y/d were developed. The correlation equations are valid for Ra^* _y ≤ 2 × 10¹².     

Ab initio dipole polarizabilities and quadrupole moments of the lowest excited states of atomic Yb

The finite-field scalar relativistic coupled cluster and configuration interaction, as well as the spin-orbit configuration interaction, methods are employed to calculate the static dipole polarizabilities for the lowest (6s ²) ¹S, (6s6p) ^1,3^{1,3}P^o and (6s5d) ^1,3^{1,3}D excited states of atomic ytterbium. The results agree very well with existing experimental and best theoretical data and refine the set of ytterbium polarizabilities known so far. Similar techniques are used to calculate the electric quadrupole moments for the ^1,3^{1,3}P^o and ^1,3^{1,3}D states.     

McMillan Tc公式的解析推导(Ⅲ)

本文把作者在前面两篇文章导出的T_c公式推广成下面形式:T_c=αω_log(ω_log/ω_c)^{(μ*/(λ-μ*))exp{-(1+λ)/(λ-μ*)},并从线性Eliashberg方程出发,导出了计算α的方程组。α一般是λ和μ*的函数。在弱耦合极限下,由上述方程组解得,α=2γ/π,其中lnγ=C=0.5772是Euler常数。这个结果表明了,前面两篇文章得到的T_c公式在弱耦合极限下是正确的。作者进而在Einstein谱和μ*=0情形,用数值计算方法从定α的方程组算出当λ=0.23,0.25,0.38和0.48时,a的数值。结果表明,至少在0.23≤λ≤0.45区间中,α变化很小,近似等于1/1.30。此时,本文的T_c公式实际上就是Allen及Dynes修改后的经验的McMillan T_c公式。 关键词：}     

High precision calculation of multipolar dynamic polarizabilities and two- and three-body dispersion coefficients of atomic hydrogen

In this paper we investigate a variationally stable procedure for multipolar dynamic polarizabilities calculation as well as the two- and three-body van der Waals coefficients of the hydrogen atom. This approach provides precise, fast convergent values for real and imaginary frequency-dependent 2 ^L -pole dynamic polarizabilities. Highly accurate two- and three-body van der Waals dispersion coefficients are calculated from dynamic polarizabilities at imaginary photon frequencies. The present approach is also precise for higher interaction orders. The results are compared with previous calculations found in the literature.     

He/Ar/Kr/F2混合气体中准分子KrF*和Kr2F*的动力学研究

本文用时间积分谱的方法研究了快放电激励下He/Ar/Kr/F₂混合气体中Kr₂F^*的动力学,探讨了Kr₂F^*形成的通道特性,理论分析和实验结果表明,在快放电激励下,三体碰撞过程KrF^*+Kr+M→Kr₂F^*+M是形成Kr₂F^*的主要通道,而置换反应ArF^*+Kr→KrF^*+Ar又能有效地产生KrF^*。实验测量了Kr₂F^*形成的有关速率常数。 关键词：