Improved <scp>SCF</scp> convergence acceleration 论文

1982Journal of Computational Chemistry引用 1309

Advanced Adaptive Filtering TechniquesMatrix Theory and AlgorithmsImage and Signal Denoising Methods

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

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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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P. Pulay

Improved <scp>SCF</scp> convergence acceleration 论文

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