Topological susceptibility from overlap fermion

We numerically calculate the topological charge of the gauge configurations on a finite lattice by the fermionic method with overlap fermions. By using the lattice index theorem, we identify the index of the massless overlap fermion operator to the topological charge of the background gauge configuration. The resulting topological susceptibility χ is in good agreement with the anticipation made by Witten and Veneziano.     

顺、反二氟乙烯分子结构和稳定性的ab initio研究

The geometries and their harmonic frequencies of the difluoroethylene isomers were gradient optimized using ab initio methods at the different levels. High-level methods give very good structural parameters in comparison to experiment. The single energy of stable structure and the frontier orbital energy gap were calculated using MP4SDTQ/6-311++G(2df,2pd) method, and it is found that the single energy of stable structure of cis isomer is lower than that of trans isomer. This is consistent with the experimental result. Mulliken population analyses were also performed to interpret the internal nature of cis preference of difluoroethylene isomers.     

抽运光与信号光的光强重叠因子和掺铒玻璃波导放大器的增益特性

在掺铒玻璃波导放大器（EDWA）的三能级速率-传输方程中,考虑两次离子交换工艺中波导掩模窗口宽度w不同所导致的抽运光、信号光模场与光强分布的不同,讨论不同w对EDWA增益特性的影响,得到光强分布的数值解.引入描述波导中抽运光和信号光的归一化光强重叠因子,对EDWA的传统近似解提出修正,得到了修正解,使其更加接近光强分布的数值解.模拟结果表明,在条波导长度为4 cm、抽运光波长为980 nm、功率为80 mW、信号光波长为1534 nm、功率为-10 dBm条件下,不同w所导致EDWA的增益差别可达297 dB.修正解的结果比传统近似解更加接近光强分布的数值解.修正解对于EDWA的理论研究、器件设计具有指导作用. 关键词： 集成光学 掺铒玻璃波导放大器 重叠积分因子 增益     

关于自旋电子的一些为什么——浅谈与超导电性对抗的磁性元素Fe,Co,Ni为什么形成化合物就超导了？

在近20年来的凝聚态物理研究中,人们在铜基氧化物中发现了高温超导电性,在锰基钙钛矿中发现了巨磁电阻效应,以及近年来发现由铁、钴、镍等传统认为与超导对抗的元素组成化合物后可以形成超导.这些不同的体系有着迥然不同的物理行为,却具有一个共同的特征：这些铜、锰、铁、钴、镍基化合物都是3d电子材料.那么,同为3d电子,为什么在不同的环境中表现出完全不同甚至对抗的行为？文章对这些现象提出了一系列为什么,并对其进行了探讨.     

含孔隙混凝土二维细观建模方法研究

根据混凝土的细观组成和结构特点,对传统二维建模方法加以继承与改进,提出了一种高效的分步入侵判定算法.将孔隙直观地反映在模型中,建立了不同的含孔隙混凝土细观模型.对含圆形、椭圆形、多边形骨料与圆形、椭圆形孔隙的混凝土标准试件分别进行了建模研究,结果表明本文的算法具有较强适用性.同时,通过对不同面积率与多种形状骨料/孔隙混凝土的大量建模进一步验证了该算法的效率.模拟了混凝土试件在单轴压缩下的准静态力学性能,分析了混凝土内部孔隙对其裂纹扩展的主要路径、破坏模式以及宏观力学性能的显著影响.     

偏振态对飞秒激光加工石英玻璃表面质量的影响

为研究线偏振和圆偏振对飞秒激光烧蚀加工石英玻璃表面质量的影响,开展不同扫描速度的线烧蚀试验和不同线重叠率的面烧蚀试验。研究了线、圆偏振光对烧蚀线宽度的影响,利用光学显微镜和环境扫描电子显微镜观察烧蚀形貌,并使用三维表面轮廓仪进行烧蚀面粗糙度分析。结果表明：线偏振光烧蚀线宽度大于圆偏振光,且激光功率越大,线宽差异越明显;当线重叠率在65%～90%时,线偏振光烧蚀表面粗糙度随重叠率增大而增大,在重叠率为65%时达到1.33 m;线轮廓算术平均偏差随重叠率增大先减小后增大,并在重叠率为80%时达到较小值1.05 m;当重叠率不到80%时,线偏振光烧蚀面线轮廓算术平均偏差比圆偏振光小;重叠率为90%时,其线轮廓算术平均偏差反而比圆偏振光大。     

Ultrametric Broken Replica Symmetry RaMOSt

We propose an ultrametric breaking of replica symmetry for diluted spin glasses in the framework of Random Multi-Overlap Structures (RaMOSt). Our approach permits to bound the free energy through a trial function that depends on a set of numbers over which one has to take the infimum.Such trial function is a first (ultrametric and factorized) example of a bound in the intersection of the probability spaces of the iterative and the RaMOSt theories, and it shows that a “direct dilution” of the Parisi Ansatz is not always exact.     

Quantum simulation of vibration states and Franck-Condon overlap in non-separable potentials

Summary Taking into consideration nuclear motion in non-separable potentials, we have probed the solution of the Schrödinger equation by random walk sampling in imaginary time on a two-dimensional example. Evaluation of the many-dimensional Franck-Condon overlap and the chemical species conversion rate is outlined.     

Calculation of Two-center Nuclear Attraction Integrals over Slater Type Orbitals in Molecular Coordinate System

A closed analytical relation is derived for the two-center nuclear attraction integrals over Slater type orbitals (STOs) in terms of binomial coefficients. This formula can be used in highly accurate calculations of the nuclear attraction integrals. The relationships obtained are valid for arbitrary values of quantum numbers and screening constants of STOs and location of nuclei.     

Effect of the orbitals of the bridging group on magnetic coupling

With an AXB centrosymmetrical model system, the qualitative relationship was demonstrated among the coupling constant and the fourth power of S₁₃, which is the overlap integral between the orbitals of the bridging group and the symmetrical combination of the singly occupied orbitals of magnetic centers in the local ligand field. By using density functional theory and the broken symmetry approach HHeH, [HFH]^? and OTi₂Cl₄ systems were calculated to inspect the above conclusion. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem 88: 275–279, 2002