类镍离子（AgXX—XeХХⅦ）能级,跃迁波长和振子强度的理…

本文用ＭＣＤＦ方法计算子类镍离子（ＡｇХХⅦ）的ｎ＝３，４的能级结构，ｎ＝３－４跃迁波长和振子强度，所得结果比最近国外发表结果（ＰｈｙｓＳｃｒｉｐｔａ，４３，１５０（１９９１）更接近实验值，为高剥离态离子谱线的辩识以及短波长激光的研究提供了有益的参考。     

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.     

左Clifford半群的特征与结构

作为Clifford半群的推广,本文定义了左Clifford半群,给出了它的许多特征,建立了它的半格分解结构和ξ直积结构。还讨论了两类特殊情形。     

Nd0.5Ca0.5Mn1-xAlxO3 (x=0,0.03)体系中电荷有序态的超声研究

系统研究了Nd0．5Ca0．5Mn1-xAlxO3(x=0,0．03)单相多晶样品在低温下的电磁性质和超声特性．电阻和磁化率测量表明,Nd0．5Ca0.5O3体系在TCO-257 K处发生了电荷有序相变．超声声速从室温开始随着温度的降低逐渐减小,并在TCO附近达到最小,之后,随着温度的进一步降低,声速急刷增加,同时伴随着一个尖锐的超声衰减峰出现.TCO附近的超声异常表明体系中存在着强烈的电-声子相互作用,该电-声子耦合来源于Mn3 的Jahn-Teller效应．在低温下,出现了另一个超声衰减峰,它的出现归结为反铁磁相与顺磁相之间的相分离现象.随着Al在Mn位的掺入,超声声速的最低点和衰减峰向低温移动,表明体系中的电荷有序态和反铁磁相均被部分抑制,     

精卫衔微木 将以填沧海（续）——记中国珠坛斗士、中国珠算协会创始人之一蒋畅行

但是，“牛棚”也罢，“炼炉”也罢，终究难改蒋畅行的追求。     

培养学生的兴趣、独立性、自主性与素质教育

30年前,甚至十几年前物理系还是一个众生向往的殿堂,那些决心献身科学并且品学兼优的佼佼者进入到这个领域,从而受到同龄人的尊敬和羡慕.一代优秀的物理学工作者就是在这个环境中成长起来,成为今天物理科研与教学领域的中坚力量.然而随着时代的发展,社会的需求,职业市场的选择以及人们价值观的改变,部分优秀的中学毕业生选择了更现实的领域,如经济、计算机等,他们毕业后可以较轻松地获得工作条件优越,报酬丰厚的职业.因而大量的人才从物理学,特别是纯物理学领域中流失了.这些年再加上出国留学热,甚至在高中毕业就已走上出国之路,对我们人才培养的冲击之大是难以估计的.物理学在许多学生及家长眼中已沦为第二等的学科,或是不得已的选择.     

Spin polarization effect for Tc2 molecule

Density functional method (DFT) (B3p86) of Gaussian98 has been used to optimize the structure of the Tc_2 molecule. The result shows that the ground state for Tc_2 molecule is an 11-multiple state and its electronic configuration is {}^{11}Σ_g^-, which shows the spin polarization effect of Tc_2 molecule of a transition metal element for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions of higher energy states. So, that the ground state for Tc_2 molecule is an 11-multiple state is indicative of the spin polarization effect of Tc_2 molecule of a transition metal element: that is, there exist 10 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Tc_2 molecule is minimized. It can be concluded that the effect of parallel spin of the Tc_2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell--Sorbie potential functions with the parameters for the ground state {}^{11}Σ_g^- and other states of Tc_2 molecule are derived. Dissociation energy D_e for the ground state of T_{c2} molecule is 2.266eV, equilibrium bond length R_e is 0.2841nm, vibration frequency ω_e is 178.52cm^{-1}. Its force constants f_2, f_3, and f_4 are 0.9200aJ·nm^{-2}, --3.5700aJ·nm^{-3}, 11.2748aJ·nm^{-4} respectively. The other spectroscopic data for the ground state of Tc_2 molecule ω_eχ_e, B_e, α_e are 0.5523cm^{-1}, 0.0426cm^{-1}, 1.6331×10^{-4}cm^{-1} respectively.     

半导体带电粒子探测器的研制及其在空间物理中的应用

阐述了空间辐射环境监测的意义,描述了半导体带电粒子探测器的研制及由其组成的望远镜系统在空间物理中的应用,并给出了用此探测器在卫星上进行地球辐射环境监测、太阳质子事件和地磁暴探测的部分结果.     

Kinetic Studies on the Reaction of Sodium Hexa-cyanoferrate(II) Complex with Peroxydisulfate Anion

Introduction In the previous studies on the oxidation reaction,peroxydisulfate was widely used as an oxidizingagent.1-5 One of the advantages of this oxidant lies in itsstability in a wide range of pH values. The reaction be-tween Fe(CN)5L3- (L=N-aromatic heterocyclic li-gands) and S2O8 2- has been proved to proceed throughan outer-sphere electron transfer mechanism.5 For a re-action [(Eq. (1)] to be under an outer-sphere mechanismthe steps involved are the formation of a reactant …