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原子轨道的钻穿作用是原子结构量子理论中的重要问题之一。我们以F.Herman和S.Skillman用Hartree方法计算得到的原子轨道能的数据(1963)为依据,系统地考察了从氦到铹(He—Lw)原子的价层轨道能量变化情况,进而探讨了原子轨道的钻穿作用问题。发现了两个重要现象。(1) Ga、Ge、As原子的4S轨道能分别低于同族元素Al、Si、P原子的3S轨道能。它显示了较强的钻穿作用。(2) 尚未发现Tl、Pb、Bi原子6s轨道有特殊的钻穿作用。
Drilling penetration of atomic orbitals is one of the most important problems in the quantum theory of atomic structure. Based on the data of atomic orbit energies calculated by Hartmann’s method by F. Herman and S. Skillman (1963), we systematically investigate the valence orbit energy variation from He to L-He atoms, The atomic orbit drilling through the role of the problem. Two important phenomena were discovered. (1) The 4S orbital energies of Ga, Ge and As atoms are lower than the 3S orbital energies of the Al, Si and P atoms of the same group. It shows a stronger drill penetration. (2) Tl, Pb, Bi atoms have not been found to have a special drilling through 6s orbit.