原子相对论波函数的平均自洽场计算  

The calculation of atomic relativistic wave function on average self-consistent field

作　　者：刘晓斌[1] 刑永忠[1] 

机构地区：[1]天水师范学院数理与信息科学学院,天水741000

出　　处：《原子与分子物理学报》2007年第6期1255-1259,共5页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(10447006)

摘　　要：利用Dirac-Slater相对论自洽场理论研究了原子中电子的相对论波函数,说明了其主要特征:电子相对论波函数大小分量的变化趋势不完全"同步",即核外电子的分布没有严格的零几率点;通常电子相对论波函数的大小分量相差非常悬殊,但当束缚电子波函数的空间压缩较为严重、或自由电子的动能较大时,其相对论波函数的小分量的相对值就会增大,并在此基础上分析了束缚电子与自由电子波函数的主要异同点.Based on Dirac-Slater relativistic average self-consistent field, the electron relativistic wave functions have been studied systemically. The results indicate that： the variational trend of large-, small-component functions of relativistic radial functions are same incompletely, so there are no zero-probability point for electron distribution outside the nuclear; usually the magnitude of large-, small-component functions are very different , but when the collapse of wave function is serious, or the kinetic energy of free electron is higher, the small-component functions will be relatively large to the large-component. Finally the same and different characters of bounding and free electron are given.

关 键 词：相对论理论 波函数 自由电子动能 DIRAC方程 

分 类 号：O561.5[理学—原子与分子物理]