非齐度量测度空间上Morrey-Herz空间上的广义分数次积分算子及其交换子

设(χ,d,μ)是一个同时满足上双倍条件和几何双倍条件的非齐度量测度空间,对于引进的一类非齐度量测度空间上的Morrey-Herz空间,利用非齐度量测度空间的特征,证明了广义分数次积分算子及其交换子在非齐度量测度空间上MorreyHerz空间的有界性.     

第二类端点奇异Fredholm积分方程的分数阶退化核方法

本文针对第二类端点奇异Fredholm积分方程构造基于分数阶Taylor展开的退化核方法，设计了两种计算格式，一是在全区间上使用分数阶Taylor展开式近似核函数，二是在包含奇点的小区间上采用分数阶插值，在剩余区间上采用分段二次多项式插值逼近核函数.讨论了两种退化核方法收敛的条件，并给出了混合插值法的收敛阶估计.数值算例表明对于非光滑核函数分数阶退化核方法有着良好的计算效果，且混合二次插值法比全区间上的分数阶退化核方法有着更广泛的适用范围.     

A multifunctional blue phase liquid crystal lens based on multi-electrode structure

A blue phase liquid crystal (BPLC) lens with multifunction using multi-electrode structure and a dielectric layer with high dielectric constant is proposed. The refractive index of the BPLC can be changed flexibly in different regions. Some functional or technical requirements such as switch between positive and negative lenses can be achieved. The lens reveals a good parabolic refractive index distribution and focus adjustment capacity simultaneously. The applied voltage on the electrodes is regular and computable. To decrease the applied voltage of the proposed lens with a large diameter, a drive-type adopted Fresnel lens is introduced.     

“进入合成有机高分子化合物的时代”单元整体设计与教学实践

选取聚乙烯醇滴眼液和维纶纤维为教学素材,对"进入合成高分子化合物的时代"一章进行了全新的单元整体设计和教学实践。按照高分子化学、高分子物理和高分子工程3个专业体系对教学内容进行了整合,创设情境、提出问题,使学生在思考、讨论和实验中获取新知,认识到高分子科学与工程的一般性研究方法,以及高分子化合物组成、结构、性质和用途间的关系。     

Estimations of energy of noncovalent bonding from integrals over interatomic zero‐flux surfaces: Correlation trends and beyond

Bonding energies of 50 associates composed by neutral molecules (atoms) and bounded by various weak noncovalent interactions are calculated within the DFT framework using the PBE0/aug‐cc‐pVTZ combination. The electronic virial and electron density values at bond critical points together with their integrals over interatomic surfaces are tested to check their ability to estimate bonding energies. Two correlations schemes dealing with integrals over interatomic surface are suggested to estimate bonding energy of any noncovalent interaction. The physical meaning of explored and several known correlations is discussed. Methods to estimate interatomic surface integrals of electronic virial and electron density are proposed. © 2018 Wiley Periodicals, Inc.     

Accurate Calculation of Equilibrium Reduced Density Matrix for the System-Bath Model: a Multilayer Multiconfiguration Time-Dependent Hartree Approach and its Comparison to a Multi-Electronic-State Path Integral Molecular Dynamics Approach?

An efficient and accurate method for computing the equilibrium reduced density matrix is presented for treating open quantum systems characterized by the system-bath model. The method employs the multilayer multiconfiguration time-dependent Hartree theory for imaginary time propagation and an importance sampling procedure for calculating the quantum mechanical trace. The method is applied to the spin-boson Hamiltonian, which leads to accurate results in agreement with those produced by the multi-electronic-state path integral molecular dynamics method.     

A global potential energy surface and time‐dependent quantum wave packet calculation of Au + H2 reaction

A global potential energy surface (PES) corresponding to the ground state of AuH₂ system has been constructed based on 22 853 ab initio energies calculated by the multireference configuration interaction method with a Davidson correction. The neural network method is used to fit the PES, and the root mean square error is only 1.87 meV. The topographical features of the novel global PES are compared with previous PES which is constructed by Zanchet et al. (Zanchet PES). The global minimum energy reaction paths on the two PESs both have a well and a barrier. Relative to the Au + H₂ reactants, the energy of well is 0.316 eV on the new PES, which is 0.421 eV deeper than Zanchet PES. The calculation of Au(²S) + H₂(X¹Σ_g⁺) → AuH(X¹Σ⁺) + H(²S) dynamical reaction is carried out on new PES, by the time‐dependent quantum wave packet method (TDWP) with second order split operator. The reaction probabilities, integral cross‐sections (ICSs) and differential cross‐sections are obtained from the dynamics calculation. The threshold in the reaction is about 1.46 eV, which is 0.07 eV smaller than Zanchet PES due to the different endothermic energies on the two PESs. At low collision energy (<2.3 eV), the total ICS is larger than the result obtained on Zanchet PES, which can be attributed to the difference of the wells and endothermic energies.     

On integration in complete bornological locally convex spaces

A generalization of I. Dobrakov's integral to complete bornological locally convex spaces is given.     

Globally Irreducible Representations of Finite Groups and Integral Lattices

The notion of globally irreducible representations of finite groups has been introduced by B. H. Gross, in order to explain new series of Euclidean lattices discovered recently by N. Elkies and T. Shioda using Mordell--Weil lattices of elliptic curves. In this paper we first give a necessary condition for global irreducibility. Then we classify all globally irreducible representations of L ₂(q) and ²B₂(q), and of the majority of the 26 sporadic finite simple groups. We also exhibit one more globally irreducible representation, which is related to the Weil representation of degree (pⁿ-1)/2 of the symplectic group Sp_2n(p) (p 1 (mod 4) is a prime). As a consequence, we get a new series of even unimodular lattices of rank 2(pⁿ–1). A summary of currently known globally irreducible representations is given.