Exponential convergence and acceleration of Hartree-Fock calculations |
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Authors: | A Bonaccorso M di Torq J Lomnitz-Adler |
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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 |
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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. |
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