匀强电场中基态惰性原子的边界轮廓  

Boundary Contours of Inert Atoms in Uniform Strength Electric Field

作　　者：石华[1] 赵东霞[1] 杨忠志[1] 

机构地区：[1]辽宁师范大学化学化工学院

出　　处：《物理化学学报》2007年第8期1145-1150,共6页Acta Physico-Chimica Sinica

基　　金：国家自然科学基金(20403007和20633050)资助项目

摘　　要：应用原子特征边界轮廓模型,计算了在5.292×10-5-5.292×10-3a.u.匀强电场下,基态惰性原子的边界轮廓.计算结果表明,在电场中原子的边界轮廓呈现近椭球形,轮廓的变化随电场强度的增强而增大;在电场强度不变的情况下,原子边界轮廓的变化随原子序数的增加而增大.并且计算中得到的单位强度原子平均径向变化率与原子极化率实验结果呈现很好的线性相关性.Applying the atomic characteristic boundary model, the boundary contours of inert atoms were evaluated in uniform strength electric field, whose strength was 5.292×10^-5 - 5.292×10^-3 a.u.. The calculated results by an ab initio method showed that the boundary of an atom in a uniform electric field was close to elliptical, and the variation of atomic boundary contour was increased with the increase of the electric field strength. In the same electric field, the larger the atomic number was, the bigger the variation of atomic boundary contour was. Further, it was shown that the mean variation rates of the atomic radial sizes of these atoms in the electric field of unit strength had a good linear relationship with the experimental values of atomic polarizability.

关 键 词：电场 原子边界轮廓 原子径向变化率 原子极化率 

分 类 号：O641.1[理学—物理化学]