๐”– Bobbio Scriptorium
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An application of the method of conjugate gradients to the calculation of minimal basis set localized orbitals

โœ Scribed by W. Ryback; R. Poirier; R. Kari

Publisher
John Wiley and Sons
Year
1978
Tongue
English
Weight
595 KB
Volume
13
Category
Article
ISSN
0020-7608

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๐Ÿ“œ SIMILAR VOLUMES

The conjugate gradient method applied to
The conjugate gradient method applied to the direct second-order minimization of energy
โœ Ida Vandoni; Ermanno Gianinetti ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 657 KB

The conjugate gradient method is proposed for minimizing the secondarder A&. Formulae for derivatives are expressed in a constructive way: they specify to which derivatives and with which weight each integral (belonging to a non-redundant list) contrl%utes. The case of geminal functions is fully tre