Exchange-Correlation Energies for Several Atoms

曾天俊(T. J. Tseng)

Chinese Journal of Physics

22卷2期（1984 / 07 / 01）

1 - 4

英文

.The improved Hartree-Fock-Slater method, designated as the Za method, in which the electron self-interaction terms have been explicitly calculated, has been applied to evaluate the exchange-correlation energies for He, Li, Be, N, Ne and Mg atoms. When the exact Hartree-Fock results are to be compared with, the present work usually gives closer results than those based on the local-spin-density approximation reported by Gunnarsson, Jonson and Lundqvist.