双电子原子基态能量的相对论修正

Relativistic correction of the ground energies of two-electron atoms

分析并推导求解了双电子原子基态能量的相对论修正中的两个基本问题:动能平方算子和三维Dirac δ-函数的基态期望值.用Mathematica符号语言进行了实现,给出了双电子原子(H-,He,Li+,Be++,…)高精度的基态能量计算值,特别是对氦原子的计算相对误差达到0.00485‰.

We analyze and solve two questions in the relativistic correction of ground energies of two-electron atoms： the expectations of the square of the kinetic energy operator and the three-dimensional Dirac delta function. By programming them with the Mathematica symbolic language , we obtain the high precision values of the ground energy of two-electron atom, in particular, the calculated relative error for Helium is 0. 00485‰.