The structure and the potential energy function of AlSO(C_S,X~2A″)

By using the B3P86/aug-cc-pvtz method,the accurate equilibrium geometry of the AlSO(CS,X2A″) molecule has been calculated and compared with available theoretical values.The obtained results show that the AlSO molecule has a most stable structure with bond lengths of R OAl = 0.1864 nm,R OS = 0.1623 nm,R AlS = 0.2450 nm,together with a dissociation energy of 13.88 eV.The possible electronic states and their reasonable dissociation limits for the ground state of the AlSO molecule were determined based on the principle of atomic and molecular reaction statics.The analytic potential energy function of the AlSO molecule was derived by the many-body expansion theory and the contour lines were constructed for the first time,which show the internal information of the AlSO molecule,including the equilibrium structure and stable point.The analysis demonstrates that the obtained potential energy function of AlSO is reasonable and successful and the present investigations provide important insights for further study on molecular reaction dynamics.     

不同能量下He原子与HCl分子碰撞激发分波截面的同位素效应研究

基于Huxley势函数的拟合势,通过精确度较高的密耦近似方法计算了入射能量为50meV和150meV时,氦原子的四种同位素3He,4He,9He,10He与HCl分子碰撞体系的激发分波截面.通过分析不同能量下,各碰撞体系分波截面的差异,探讨了不同入射能量时He的同位素对He-HCl碰撞体系的分波截面的影响,总结出其分波截面随量子数和体系约化质量的变化规律.     

He-H2(D2,T2)碰撞体系振转相互作用势及分波截面的理论计算

采用超分子单双迭代(包括非迭代三重激发)耦合簇理论CCSD(T)方法,选择由原子中心高斯函数和高斯键函数3s3p2d1f组成的大基组,计算了He-H₂(D₂,T₂)碰撞体系的H₂分子取不同键长时的相互作用势能面.运用Tang-Toennies势模型和非线性最小二乘法拟合构造了He与同位素分子H₂(D₂,T₂)在质心坐标系下的振转相互作用势.通过密耦计算得 关键词： 高斯键函数 Tang-Toennies势函数 分波截面 碰撞参数     

从源于教材的一则思考与讨论谈起

<正>在高中数学人教B版必修4课节1.2.2单位圆与三角函数线一节中,课本思考与讨论中出现结论sinx相似文献   

课本中一习题的应用

习题设a1,a2,…,an为实数,b1,b2,…,bn为正数,     

2000kV电子帘加速器的电子束轨迹的计算

采用法国的ＭＡＦＩＡ程序计算电场。编制了ＴＲＡＪ程序，用逐点跟踪计算电子轨迹，得到了束流包络。观察了在高压电场中栅压对束流光学传输的影响，并获得了在不同能量范围内的栅压聚焦作用，为册压调节提供了理论依据，也为将来对其它规格的电子帘加速器的物理设计积累了十分宝贵的经验。     

200兆赫高功率CW锁模YAG激光泵浦源研究

本文报导一台200MHz 12W平均功率的CW锁模Nd:YAG激光泵浦源,输出脉宽约100ps,能够可靠地长期稳定运转。     

Electromagnetic Instabilities Excited by Electron Temperature Anisotropy

One-dimensional particle-in-cell simulations are performed to investigate the nonlinear evolution of electromagnetic instabilities excited by the electron temperature anisotropy in homogeneous plasmas with different parameters. The results show that the electron temperature anisotropy can excite the two right-hand electromagnetic instabilities, one has the frequency higher than Ωe, the other is the whistler instability with larger amplitude, and its frequency is below Ωe. Their dispersion relations are consistent with the prediction from the cold plasma theory. In the initial growth stage (prediction from linear theory), the frequency of the dominant mode (the mode whose amplitude is large enough) of the whistler wave almost does not change, but in the saturation stage the situation is different. In the case that the ratio of electron plasma frequency to cyclotron frequency is larger than 1, the frequency of the dominant mode of the whistler wave driRs from high to low continuously. However, for the case of the ratio smaller than 1, besides the original dominant mode of the whistler wave whose frequency is about 2.6ωe, another dominant mode whose frequency is about 1.55ωe also begins to be excited at definite time, and its amplitude increases with time until it exceeds the original dominant mode.     

上概率下的中心极限定理（英文）

本文讨论(?,F)上的上概率ω(·)和下概率ω_c(·)以及它们的某些性质,并由上概率下随机变量序列的独立性、正则性,给出上概率下的中心极限定理,它是经典概率论中中心极限定理在非可加概率下的的推广.     

Weight functions for interface cracks in dissimilar anisotropic materials

Bueckner‘s work conjugate integral customarily adopted for linear elastic materials is established for an interface crack in dissimilar anisotropic materials. The difficulties in separating Stroh‘s six complex arguments involved in the integral for the dissimilar materials are overcome and then the explicit function representations of the integral are given and studied in detail. It is found that the pseudo-orthogonal properties of the eigenfunction expansion form (EEF) for a crack presented previously in isotropic elastic cases, in isotopic bimaterial cases, and in orthotropic cases are also valid in the present dissimilar arbitrary anisotropic cases. The relation between Bueckner‘s work conjugate integral and the J-integral in these cases is obtained by introducing a complementary stressdisplacement state. Finally, some useful path-independent integrals and weight functions are proposed for calculating the crack tip parameters such as the stress intensity factors.