On the use of symmetry in the ab initio quantum mechanical simulation of nanotubes and related materials

Nanotubes can be characterized by a very high point symmetry, comparable or even larger than the one of the most symmetric crystalline systems (cubic, 48 point symmetry operators). For example, N = 2n rototranslation symmetry operators connect the atoms of the (n,0) nanotubes. This symmetry is fully exploited in the CRYSTAL code. As a result, ab initio quantum mechanical large basis set calculations of carbon nanotubes containing more than 150 atoms in the unit cell become very cheap, because the irreducible part of the unit cell reduces to two atoms only. The nanotube symmetry is exploited at three levels in the present implementation. First, for the automatic generation of the nanotube structure (and then of the input file for the SCF calculation) starting from a two‐dimensional structure (in the specific case, graphene). Second, the nanotube symmetry is used for the calculation of the mono‐ and bi‐electronic integrals that enter into the Fock (Kohn‐Sham) matrix definition. Only the irreducible wedge of the Fock matrix is computed, with a saving factor close to N. Finally, the symmetry is exploited for the diagonalization, where each irreducible representation is separately treated. When M atomic orbitals per carbon atom are used, the diagonalization computing time is close to Nt, where t is the time required for the diagonalization of each 2M × 2M matrix. The efficiency and accuracy of the computational scheme is documented. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010     

Constructions of optimal difference systems of sets

Difference systems of sets (DSSs) are combinatorial configurations which were introduced in 1971 by Levenstein for the construction of codes for synchronization. In this paper, we present two kinds of constructions of difference systems of sets by using disjoint difference families and a special type of difference sets, respectively. As a consequence, new infinite classes of optimal DSSs are obtained.     

新型大面阵彩色CCD航测相机光学系统设计

介绍了一种有别于传统彩色航测相机的新型大面阵彩色CCD航测相机设计方案,该相机光学系统由Dalsa公司最新生产的6K×8K大面阵彩色CCD作为接收器.通过理论计算和ZEMAX光学设计软件的优化,给出了工作波长适应范围为0.46～0.70μm、焦距为360mm、视场角为10°、相对孔径为1∶4.3的设计实例.设计结果表明...     

条形码技术在方志馆典藏工作中的应用

条形码技术是一种应用广泛的光电数据输入技术,具有编码、数据识别、数据采集、条码印刷等多项功能。本文简述了条形码技术的原理及其在方志馆编录、典藏、流通环节中的作用。论述了二维码技术的应用对方志馆在馆藏资料自动化管理和方志馆数字化建设方面产生的革命性影响。     

Bounds and Constructions for Two‐Dimensional Variable‐Weight Optical Orthogonal Codes

Optical orthogonal codes (1D constant‐weight OOCs or 1D CWOOCs) were first introduced by Salehi as signature sequences to facilitate multiple access in optical fibre networks. In fiber optic communications, a principal drawback of 1D CWOOCs is that large bandwidth expansion is required if a big number of codewords is needed. To overcome this problem, a two‐dimensional (2D) (constant‐weight) coding was introduced. Many optimal 2D CWOOCs were obtained recently. A 2D CWOOC can only support a single QoS (quality of service) class. A 2D variable‐weight OOC (2D VWOOC) was introduced to meet multiple QoS requirements. A 2D VWOOC is a set of 0, 1 matrices with variable weight, good auto, and cross‐correlations. Little is known on the construction of optimal 2D VWOOCs. In this paper, new upper bound on the size of a 2D VWOOC is obtained, and several new infinite classes of optimal 2D VWOOCs are obtained.     

A note on isodual constacyclic codes

This note gives a counterexample of Theorem 20 in the paper of Blackford (2013) [2]. The counterexample shows that [2, Theorem 20] is incorrect. Furthermore, we provide corrections to the above result.     

最优(m,n,4,1)光正交签名码的进一步结果

为支持高速多址网络中二维图像的传输,Kitayama首次提出码分多址并行图像传输系统的概念.作为码分多址并行图像传输系统的首选光地址码,光正交签名码(OOSPC)是一族具有良好相关性的Hamming重量为k的m×n(0,1)-矩阵.用Θ(m,n,k,λ)表示所有参数为(m,n,k,λ)的OOSPC中码字容量可能的最大值,则称码字容量为Θ(m,n,k,λ)的(m,n,k,λ)-OOSPC是最优的.本文将针对满足下列条件之一的正整数m和n:(1)mn≡8,16(mod 24),gcd(m,n,2)=2,且mn≡16(mod 32)和gcd(m,n,4)=2不同时成立,其中m和n的所有奇素因子均模6余1;(2)mn≡0(mod 24)且gcd(m,n,6)=2,证明Θ(m,n,4,1)=|mn-1/12|,即构造码字容量为|mn-1/12|的最优(m,n,4,1)-OOSPC.     

二维双曲方程基于POD方法的降阶有限差分外推迭代格式

利用特征投影分解(POD)方法建立二维双曲型方程的一种基于POD方法的含有很少自由度但具有足够高精度的降阶有限差分外推迭代格式,给出其基于POD方法的降阶有限差分解的误差估计及基于POD方法的降阶有限差分外推迭代格式的算法实现.用一个数值例子去说明数值计算结果与理论结果相吻合.进一步说明这种基于POD方法的降阶有限差分外推迭代格式对于求解二维双曲方程是可行和有效的.