On the convergence of SCF algorithms for the Hartree-Fock equations
Author:
Publisher
EDP Sciences
Subject
Applied Mathematics,Modelling and Simulation,Numerical Analysis,Analysis,Computational Mathematics
Link
http://www.esaim-m2an.org/10.1051/m2an:2000102/pdf
Reference26 articles.
1. G. Auchmuty and Wenyao Jia, Convergent iterative methods for the Hartree eigenproblem.RAIRO Modél. Math. Anal. Numér.28(1994) 575-610.
2. There are no unfilled shells in unrestricted Hartree-Fock theory
3. General properties of the hartree-fock problem demonstrated on the frontier orbital model
4. A general relation between the intrinsic convergence properties of SCF Hartree–Fock calculations and the stability conditions of their solutions
5. Optimization of SCF LCAO wave functions
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