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A method to accelerate convergence of Hartree–Fock calculations
Journal article   Peer reviewed

A method to accelerate convergence of Hartree–Fock calculations

D. W. L. Sprung and M. Vallières
Canadian journal of physics, v 59(2)
01 Feb 1981

Abstract

An extrapolation procedure has been devised which secures convergence of static Hartree–Fock calculations in about a third fewer iterations than the standard methods.

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Collaboration types
Domestic collaboration
International collaboration
Web of Science research areas
Physics, Multidisciplinary
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