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The quadratic functional as an indicator of the convergence of approximate methods

โœ Scribed by Wolf Altman; Antonio Marmo de Oliveira

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
348 KB
Volume
19
Category
Article
ISSN
0045-7949

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๐Ÿ“œ SIMILAR VOLUMES

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## 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.

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