关键词: 氦原子, 基态, Roothaan-Hartree-Fock方程, 库仑算符

Abstract: The procedure for numerical solution of the Roothaan-Hartree-Fock equation for helium in its ground state with self-consistent field method is illustrated through expressing the wave function of single electron as a ＂double-zeta＂ function,which is the linear combination of only two Slater-type functions.The calculated result of the ground state energy is-2.862 568 Hartree.Due to the spherical symmetry of the ground state,the Coulomb operator can be computed by solving the Poisson＇s equation numerically,the overlap integrals and the nuclear-field orbital energies are evaluated analytically,the criterions of self-consistent are also discussed.

Key words: helium, ground state, Roothaan-Hartree-Fock equation, Coulomb operator