The structure of linear codes of constant weight

In this paper we determine completely the structure of linear codes over of constant weight. Namely, we determine exactly which modules underlie linear codes of constant weight, and we describe the coordinate functionals involved. The weight functions considered are: Hamming weight, Lee weight, two forms of Euclidean weight, and pre-homogeneous weights. We prove a general uniqueness theorem for virtual linear codes of constant weight. Existence is settled on a case by case basis.

     

Exact Gaussian expansions of Slater-type atomic orbitals

Three exact Slater-type function (STO) integral transforms are presented. The STO-NG basis set can then be developed using either only 1s Gaussian functions, the same Gaussian exponents for each shell, or using the first Gaussian of each symmetry. The use of any of these three alternatives depends only on appropriate numerical integration techniques.     

Indo-Mo Model with s·p Separation

A newly developed self-consistent-field molecular orbital theory is described and tested. The intermediate neglect of differential overlap (INDO) approximation is used, and all interaction integrals are differentiated according to their dependence upon 2s and 2p AO's. The bonding parameter β_l is reformulated so that the model is calibrated to only one specific molecular property, namely, the ionization energy of Hi. We expect that this model will not be biased toward any special families of molecules.     

How Has the Bridge Fragment Chosen to Design Charge Transfer Molecular Device?

Applying the time-dependent density functional theory (TD-DFT) method the design of molecular logical functions from the dithieno[3,2-b:2,3-d]thiophene (thiophene) and azo-dye Disperse Orange 3 (DO3) molecules joined with various electron-insulator bridges is performed. Based on the results of the investigations, the main design rules for the selection of the bridge fragment between a photo-acceptor and photo-donor of a charge transfer molecular device are proposed.     

4 ,4′-二巯基二苯醚分子的电子输运性质研究

利用从头算方法和弹性散射格林函数理论,研究了4 ,4′-二巯基二苯醚分子的电输运性质.计算表明,当外加偏压少于0 .9 V时,该分子器件不导电.当外加偏压进一步增加时,该分子器件的电导呈现出平台特征.由于中间氧原子的存在,相对于4 ,4′-二巯基联苯分子来说,该分子的导电特性较差.     

高对比度目标的电磁逆散射超分辨成像

提出了一种适用于高对比度目标的超分辨成像方法,通过结合对比度源反演方法与基于轨道角动量的超分辨技术,实现对高对比度目标的超分辨成像.首先采用基于轨道角动量的成像方法求解出对比度函数,将其作为对比度源反演方法的迭代初值,虽然初值结果与实际目标相差较大,但是由于初值中已经包含了关于目标的倏逝波信息,再利用这个初值开始迭代便可以得到超分辨重建结果,这种方法具有一定的抗噪声能力.本文研究表明,为了实现超分辨成像,一方面需要将目标对应的倏逝波信息转化到测量数据中,另一方面还要保证成像算法能够充分利用这些信息.本文所引申出的关于超分辨信息的概念对于逆散射超分辨成像的研究具有一定的借鉴意义.     

CALCULATION OF THE RELATIVISTIC CORRECTION ENERGIES OF Ne-LIKE IONS WITH ORBITAL POLARIZATION CORRECTION

This paper reports the theoretical calculation of Breit, self-energy, and vacuum polarization corrections in the Ne-like system using multi-configuration Dirac-Fock method with the orbital polarization. The relations of these corrections with the atomic number and the orbital symmetries are shown and the calculated correction energies are compared with other calculated results. Our Breit correction energies are all smaller by 1eV as maximum than the other theoretical Breit correction energies and the differences reveal ystematical relation with atomic number. It is found that the configuration interactions have great effect on Breit corrections while the orbital polarization has much smaller effect on Breit corrections. The self-energy and vacuum polarization obtained by our calculation are much different from that in previous literatures for some transitions.     

用紧耦合方法研究C4+和O6+与He原子碰撞

用双中心原子轨道紧耦合方法计算了C4+-He以及O6+-He碰撞的单俘获总截面,入射离子的能量范围为10～100keV/amu,所得计算结果在实验误差范围内与实验值很好符合.对满壳层入射离子,研究了单俘获截面随入射离子电荷态的变化,并讨论了原子轨道展开波函数数目对计算结果的影响.p