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The dynamic “level shift” method for improving the convergence of the SCF procedure
Author(s) -
Mitin A. V.
Publication year - 1988
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540090203
Subject(s) - convergence (economics) , mathematics , iterative method , computer science , mathematical optimization , economics , economic growth
This article is concerned with the improvement of convergence of the iterative procedure for solving the Hartree–Fock–Roothaan equations by the dynamic “level shift” method.