Improved <scp>SCF</scp> convergence acceleration

19821,294 citationsJournal Article

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Abstract An improved version of the direct inversion in the iterative subspace algorithm is developed. The method is significantly more efficient than the previous version, and is applicable to intrinsically divergent or slowly convergent cases. Comparisons indicate that the method is superior to the recently proposed quadratically convergent ( QC – SCF ) method of Bacskay.

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Advanced Adaptive Filtering Techniques Matrix Theory and Algorithms Image and Signal Denoising Methods

Publication Details

Published in: Journal of Computational Chemistry

Volume 3, Issue 4, pp. 556-560

DOI: 10.1002/jcc.540030413

Field-Weighted Citation Impact: 6.78

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Improved <scp>SCF</scp> convergence acceleration

Authors

Abstract

Topics & Keywords

Publication Details