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Exponential convergence and acceleration of Hartree-Fock calculations
Authors:A Bonaccorso  M di Torq  J Lomnitz-Adler
Institution:Department of Theoretical Physics, University of Oxford, 1 Keble Road, OxfordUK;Istituto di Fisica, Università di Catania, 57 Corso Italia, Catania, Italy;Department of Physics, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA
Abstract:We show that we can expect an exponential behaviour for the convergence of the Hartree-Fock solution during the HF iteration procedure. We use this property to extrapolate some collective degrees of freedom, in this case the shape, in order to speed up the self-consistent calculation. For axially deformed nuclei we apply the method to the quadrupole moment which corresponds to a simple scaling transformation on the single particle wave functions. Results are shown for the deformed nuclei 20Ne and 28Si with a Skyrme interaction.
Keywords:
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