Abstract

The atomic finite-difference Hartree-Fock equations are written as an operator equation in a finite Banach space, the finite-difference variables and Lagrange multipliers forming the components of a solution vector, U, in this space. The Coulomb and exchange operators are treated as Λ-dependent perturbations, and the solution vector is expressed in the form of a vector perturbation series, U(Λ) = Σ n U n Λ n . An algorithm for calculating the coefficient vectors U n is given. Through a scaling of units, one set of coefficient vectors suffices for the calculation of an isoelectronic sequence of states, starting from the neutral atom. Results are presented for the 1 s 2 1S and 1 s 22 s 2S isoelectronic sequences. The Richardson procedure is used to extrapolate to the differential limit.

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