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B-spline basis implementation of the Hartree-Fock method for arbitrary central potentials

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Published under licence by IOP Publishing Ltd
, , Citation D T Waide et al 2020 J. Phys.: Conf. Ser. 1412 132029 DOI 10.1088/1742-6596/1412/13/132029

1742-6596/1412/13/132029

Synopsis

The Hartree-Fock equations are solved using B-splines. Convergence of self-consistency iterations is achieved by turning on the electron interaction gradually. We test the ground and excited-state sets for atoms and an electron gas confined in a harmonic potential and the jellium model of alkali-metal clusters. Comparisons are made with the Thomas-Fermi approximation and dipole polarizabilities are found and compared with experiment.

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10.1088/1742-6596/1412/13/132029