Sc^＋18离子1s^23d-1s^2nf的跃迁能和偶极振子强度

用全实加关联方法计算了类锂Sc^＋18离子1s^23d-1s^2nf（4≤n≤9）的跃迁能和1s^2nf（n≤9）态的精细结构，依据量子亏损理论确定了该Rydberg系列的量子数亏损，用这些作为能量的缓变函数的量子亏损。可以实现对任意高激发态（n≥10）的能量可靠的预言，利用在计算能量过程中确定的波函数，计算了Sc^＋18离子1s^23d-1s^2nf的偶极跃迁在三种规范下振子强度；将这些分立态振子强度与量子亏损理论相结合，得到在电离阚附近束缚态，束缚态跃迁振子强度以及束缚态．连续态跌迁振子强度密度，从而将Sc^＋18离子的这一重要光谱特性的理论预言外推到整个能域。     

北京谱仪Ⅲ电磁量能器触发系统的模拟研究

利用北京谱仪Ⅲ探测器模拟和触发系统模拟程序,研究了北京谱仪Ⅲ电磁量能器的触发方案.根据物理目标设计了中性事例触发,巴巴事例判选和带电事例触发的方案,优化了各触发条件的参数,并仔细研究了对本底的排斥能力.研究了一批典型的物理道,给出了它们的触发效率,同时给出了预期的本底触发事例率.     

一维粗糙表面散射特征的数值分析

使用Monte Carlo模拟的方法得出了随机粗糙表面，在Kirchhoff近似的基础上，利用数值分析的方法分析了一维随机粗糙表面的散射特征，得出了一维随机粗糙表面散射分布曲线，我们还考虑了遮蔽效应的影响，并且讨论了Kirchhoff近似的有效性。     

Dissociative Chemisorption of an H2（v,j） Molecule on Rigid Ni （100） Surface： Dependence on Surface Topologies and Initial Rovibrational States of the Molecules

The H2(v,j) Ni(100) collision system has been studied to understand the effects of the surface sites and initial rovibrational states of the molecule on molecule-surface interactions, by a quasiclassical molecular dynamic simulation method. Dissociative adsorption of an H2 molecule on the rigid Ni(100) surface is investigated at topologically different three sites of the surface. Interaction between the molecule and Ni surface was described by a London-Eyring-Polani-Sato (LEPS) potential. Dissociative chemisorption probabilities of the H2(v, j) molecule on various sites of the surface are presented as a function of the translation energies between 0.001-1.0eV. The probabilities obtained at each collision site have unique behaviour. At lower collision energies, indirect processes enhance the reactivity, effects of the rotational excitations and impact sites on the reactivity are more pronounced. The results are compared with the available studies. The physical mechanisms underlying the results and quantum effects are discussed.     

行波管内不连续性的简易模型分析

 根据行波管内微波信号在输能装置和切断衰减器处两个不连续性之间来回反射的物理现象，建立行波管输出段的简易网络串模型，并对行波管输出段传输特性参数的幅频特性、相频特性进行计算分析。结果表明：输能装置和切断衰减器的不连续性是造成幅相一致性行波管相位不可补偿的重要因素之一。     

分子和金表面相互作用的第一性原理研究

从第一性原理出发利用密度泛函理论研究了 4 ,4′ 二巯基联苯分子和金表面的相互作用 ,并利用了前线轨道理论和微扰理论定量地确定了该相互作用能常数. By using density functional theory, we have investigated the interaction between a thiol-phenyl molecule (4-4′-dimercaptodibenzene) and a gold surface. The frontier orbit theory and the perturbation theory are also employed to determine quantitatively the constant of interaction energy. The results show that the bonding between the sulfur atom and the gold atoms corresponds mainly to the covalent bond and some molecular orbits are extended over the molecule and gold cluster which certainly give channels...