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Implementation of some multioperations on sequential computers

✍ Scribed by T. N. Smirnova; A. A. Aleksandrova; N. B. Stsiborskaya

Book ID
105068111
Publisher
Springer US
Year
1983
Tongue
English
Weight
910 KB
Volume
23
Category
Article
ISSN
1573-8795

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An implementation of RI–SCF on parallel
An implementation of RI–SCF on parallel computers
✍ Herbert A. FrΓΌchtl; Rick A. Kendall; Robert J. Harrison; Kenneth G. Dyall πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 153 KB πŸ‘ 1 views

The resolution of the identity RI approximation to the Hartree᎐Fock method was implemented within the NWChem suite of ab initio programs for parallel computers. After a description of the method, a detailed account of the implementation is given. We present a sample calculation and compare its perfo