【摘要】 介绍了Dirac,Desclaux等人发展的相对论多电子原子自洽场Dirac -Fock(MCDF)方法 ,并用相对论多电子原子MERECC - 94程序计算了元素Au ,Fr的电子结构 .结果表明 :尽管Fr的 1s轨道相对论收缩效应比Au大 ,但因外壳层电子结构的不同 ,使Au的 6s轨道的相对论收缩和稳定化效应比Fr的 7s更明显更多还原

【Abstract】 In this paper,the relativistic multiply-configuration SCF method of Dirac-Fock and the relativistic MERECC-94 program about many-electron atom were introduced.Meanwile.the electronc structures elements Au and Fr were calculated and discussed.The results are as follows:although the relativistic constriction effect of 1 s orbital of Fr is larger than that of Au’s,but the relativistic constriction effect of 7 s orbital of Fr is less than that of 6 s orbital of Au because of the different electronic structure of the outer shell.更多还原