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Variation–iteration method in momentum space: Determination of Hartree–Fock atomic orbitals
Authors:Laurent De Windt  Mireille Defranceschi  Joseph Dehalle
Abstract:A method using the Svartholm iterative procedure to solve atomic Hartree–Fock equations in momentum space is defined and applied to the ground states of Be and B+. The calculated atomic orbital properties follow a monotonic and stable convergence, but with rates of convergence depending on each property. The evolution of the orbitals during the iterations is explained by the combined actions of the variational principle, the Svartholm iterative procedure, and the momentum space representation. © 1993 John Wiley & Sons, Inc.
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