화학공학소재연구정보센터
Journal of Chemical Physics, Vol.111, No.1, 54-57, 1999
Roles of nuclear attraction and electron repulsion energies in the relative stability of atomic LS terms
Numerical Hartree-Fock values of the electron-nucleus attraction V-en and electron-electron repulsion V-ee energies are examined for 2392 spectroscopic terms of 170 electronic configurations (with two or more terms) arising in 80 different neutral atoms of the periodic table. For 161 configurations, it is confirmed that a lower energy term has smaller V-en and larger V-ee than a high-energy term, as considered to be general in the literature. In particular, the ground term has the smallest V-en and the largest V-ee. The differences Delta V-en and Delta V-ee between two terms arising from a configuration are found to have a good linear correlation with the corresponding difference Delta E in the total energy. However, peculiar exceptions are observed for nine electronic configurations with two open subshells. In five configurations, the ground term has the smallest V-en but not the largest V-ee. In four configurations, the ground term has neither the smallest V-en nor the largest V-ee.