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Acceleration of the convergence of the optimum gradient method

โœ Scribed by A.F. Potapova

Publisher
Elsevier Science
Year
1971
Weight
243 KB
Volume
11
Category
Article
ISSN
0041-5553

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๐Ÿ“œ SIMILAR VOLUMES

Accelerating the convergence of the quad
Accelerating the convergence of the quadratically convergent SCF method
โœ I.C. Chang ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 252 KB

## An algorithm to solve the divergence problem of the quadratically convergent SCF method is suggested nnd is applied to the calculation of the excited states of a number of small molecu!es. The resuits show definite imp:ovement over tic original method.