铁分子Fe2的自旋极化效应

采用密度泛函方法(B3P86)对 Fe_2分子结构进行了优化.计算结果中未观察到自旋污染,基态波函数与高态波函数并未混杂,结果表明,Fe_2中有8个未配对电子,这些电子空间分布不同和自旋平行产生的自旋极化效应,使 Fe_2能量最低.计算结果表明,Fe_2分子的基态是~9∑_g~ ,并非~7Δ_u,进而表明 Fe_2的自旋平行效应比电子自旋配对效应要强.计算得到该分子基态的二阶、三阶和四阶力常数分别为1.4115×10~(-2)aJ/nm~2、-37.1751×10~3aJ/nm~3和 98.7596×10~4aJ/nm~4；光谱数据ω_eχ_e、B_e、α_e分别为0.3522、0.0345、 0.4963×10~(-4)cm~(-1)；离解能为3.5522eV,平衡键长为0.2137nm,振动频率为292.914cm~(-1)；并得到了 Murrel-Sorbie 函数.     

Odd-Excited Binomial States of the Radiation Field and Some of Their Statistical Properties

In this paper a new state called odd-excited binomial state (OEBS) is introduced. It interpolates between the odd number state and the odd-excited coherent state. We discuss some statistical properties, such as the Glauber second-order correlation function and squeezing phenomenon (normal and amplitude-squared squeezing) for this state. The quasiprobability distribution functions (Husimi Q-function and Wigner W-function) are also examined.     

B_2分子X~3Σ_g~-和A~3Σ_u~-态的势能函数

使用SAC/SAC-CI方法,利用D95(d),6-311g**以及cc-PVTZ等基组,对B2分子的基态(X3Σg-)和第一激发态(A3Σu-)的平衡结构和谐振频率进行了优化计算.通过对3个基组的计算结果的比较,得出了D95(d)基组为3个基组中的最优基组的结论;使用D95(d)基组,利用SAC的GSUM(Group Sum of Operators)方法对基态(X3Σg-),SAC-CI的GSUM方法对激发态(A3Σu-)进行单点能扫描计算,用正规方程组拟合Murrell-Sorbie函数,得到了相应电子态的完整势能函数;从得到的势能函数计算了与基态(X3Σg-)和第一激发态(A3Σu-)相对应的光谱常数(Be,αe,ωe和ωeχe),结果与实验数据吻合.     

也谈分段函数的初等性

主要讨论一类能表示成最大值函数、最小值函数的分段函数的初等性。证明了只要能表示成最大值函数或最小值函数的分段函数一定是初等函数。     

Necessary Conditions for Differentiability of Distance Functions

Necessary conditions for the Gâteaux differentiability of the distance function to a set are considered. A series of characterizing results is obtained.     

Nonsensitiveness Regions for Threshold Ellipsoids

The problem is to determine nonsensitiveness regions for threshold ellipsoids within a regular mixed linear model.     

The one-dimensional Hubbard model for large or infiniteU

The magnetic properties of the one-dimensional Hubbard model with a hardcore interaction on a ring (periodic boundary conditions) are investigated. At finite temperatures it is shown to behave up to exponentially small corrections as a pure paramagnet. An explicit expression for the ground-state degeneracies is derived. The eigenstates of this model are used to perform a perlurbational treatment for large but finite interactions. In first order inU ¹ an effective Hamiltonian for the one-dimensional Hubbard model is derived. It is the Hamiltonian of the one-dimensional Hcisenberg model with antiferromagnetic couplings between nearest neighbor spins. An asymptotic expansion for the ground-state energy is given. The results are valid for arbitrary densities of electrons.     

两种拔尿管方法对膀胱功能损伤的临床观察

为观察两种不同的拔尿管方法对膀胱功能损伤的差异,将80例患者随机分成两组,分别采用改良法(40例)和常规法(40例)拔除留置尿管,分析比较了两组患者排尿顺利率、逼尿肌功能恢复率及尿道刺激症、尿失禁、尿潴留。结果表明,两组患者拔管后上述指标与情况有显著性差异,P<0.05。提示改良组膀胱功能损伤明显低于对照组。改良的拔管方法是一种值得护理推广应用的好方法。     

关于正值函数无穷积分收敛性判别法的讨论

文 [1 ]给出了非负函数无穷积分收敛性的几个判别法 ,本文给出了比文 [1 ]判别法更精细的一个判别法 ,同时 ,通过与文 [1 ]中判别法的比较 ,说明它比文 [1 ]中的判别法都强 .     

Authorware制作课件解疑及操作技巧

介绍了Authorware软件使用过程中的一些常见问题并给出了具体的解决方案 ;说明了在Au thorware软件使用过程中如何利用一些操作技巧