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Acceleration of convergence characteristic of the ICCG method

โœ Scribed by Fujiwara, K.; Nakata, T.; Fusayasu, H.


Book ID
114548080
Publisher
IEEE
Year
1993
Tongue
English
Weight
430 KB
Volume
29
Category
Article
ISSN
0018-9464

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๐Ÿ“œ SIMILAR VOLUMES


Accelerating the convergence of the quad
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.