A justification for the use of approximate transition amplitudes in semiclassical surface hopping

Recent work has shown that a certain surface hopping form of the wave function is capable of obtaining highly accurate transition probabilities for nonadiabatic problems. It has also been found that it is necessary to include hops in classically forbidden regions in order to obtain this level of accuracy at low energies. The amplitude for the hops in this surface hopping expansion of the wave function has the typical p^?1/2 semiclassical divergence at the turning points in the classical motion. While this singularity is an integrable divergence, the divergent behavior complicates the numerical evaluation of the integrals over hopping points that is present in the surface hopping expressions. Numerical evidence has shown that only small errors are incurred at most energies if these singular hopping amplitudes are replaced with a nonsingular approximation. This agreement is surprising, since the exact and approximate amplitudes differ greatly in the turning point region, and this region is expected to make important contributions to the transition probability at low energies. A numerical analysis is presented in this work that provides a justification as to why this numerically useful approximation works as well as it does.     

Experimental Verification of Left-Handed Metamaterials Composed of Coplanar Electric and Magnetic Resonators

We verified experimentally left-handed metamaterials （LHM） composed of coplanar electric and magnetic resonators. A typical LHM sample composed of coplanar resonator unit cells was fabricated, investigated and tested. The experimental results show that the tested sample has a left-handed band of width 1.4 GHz in the X band. The experimental results agree quite well with the simulation ones. Moreover, both the simulation and experimental results show that the LHM under study can automatically achieve good impedance-matching in the left-handed band.     

硝基吖啶酮差示脉冲伏安法测定核酸的研究

采用循环伏安法对合成的硝基吖啶酮(NACR)的电化学行为进行研究,建立硝基吖啶酮差示脉冲伏安法测定核酸的新方法。在pH 4.8的PBS缓冲液中,硝基吖啶酮与ctDNA能够相互作用形成超分子复合物,使硝基吖啶酮在0.043 V处的氧化峰电流下降,峰电流的下降值同ctDNA的浓度在5.0×10-5mg/L~6.5×10-6mg/L范围内呈良好的线性关系,检出限为2.0×10-7mg/L,相关系数为0.9974,已用于实际样品DNA的测定,故硝基吖啶酮有望成为一种新型的生物小分子电化学探针。     

低温地板辐射采暖系统的传热分析与仿真

建立了低温地板辐射供暖系统的传热过程的数学模型,用有限元法对数学模型进行求解。以一个动态仿真程序得出了不同供回水平均温度和排管间距下的地板表面最高温度和单位面积的热流量,阐明了系统的舒适和节能特性,为工程设计提供了理论依据。     

X射线光刻胶的研究

合成了甲基丙烯酸缩水甘油酯与甲基丙烯酸氯乙酯和甲基丙烯酸氯乙酯与甲基丙烯酸甲酯共聚物,并研究了该共聚物的分子量分布、结构和热稳定性能。研究了甲基丙烯酸缩水甘油酯与甲基丙烯酸氯乙酯正性X射线光刻胶。该光刻胶具有热稳定性和高分辨率性。最低线幅宽度为0.1μm。     

局部大边宽嵌入图的面圈和C-桥的结构

In this paper,we show that for a locally LEW-embedded 3-connected graph G in orientable surface,the following results hold:1) Each of such embeddings is minimum genus embedding;2) The facial cycles are precisely the induced nonseparating cycles which implies the uniqueness of such embeddings;3) Every overlap graph O(G,C) is a bipartite graph and G has only one C-bridge H such that CUH is nonplanar provided C is a contractible cycle shorter than every noncontractible cycle containing an edge of C.This ext...     

以学生为主体的混合式个性化教学模式在分析化学课程中的探索与思考

In order to solve the issues of traditional teaching methods in the undergraduate basic theory course, the blended learning mode was put forward by taking analytical chemistry as an example. With concept of student-centered, personalized teaching, together with assistant means, was introduced to achieve the breakthrough in solving the problems. We hope to reinforce the adaptability and targeting of the course teaching.     

An Efficient Solid-State Synthesis of N-Aryl-2-phenyldiazenecarboxamides

The subject of organic solid-state synthesis is a fascinating one. It has many advantages such as high efficiency and selectivity, easy separation and purification, mild reaction conditions, and environmental acceptability1. In recent years, this method has been widely used in a variety of organic reactions including substitution2, condensation3, oxidation-reduction4, rearrangement5 and elimination6. However, the solid state reaction using K3Fe(CN)6/KOH to oxidize substituted semicarbazides…     

环上的模糊理想幂格及其强截集诱导的格

给出了环上模糊理想幂格的概念,得到相关性质。进而由环上模糊理想强截集诱导出格,讨论了它不是分配格,但为模格。同时,将环上升为主理想环,得到了模糊理想乘积的强截集等于强截集的乘积,且都为环的理想。最后,讨论了Boolean环的模糊子集为模糊理想与其伴随构成交半格的关系。