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Coupled transport/chemistry calculations on the massively parallel processor computer

โœ Scribed by G.R. Carmichael; D.M. Cohen; S.-Y. Cho; M.H. Oguztuzun


Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
839 KB
Volume
13
Category
Article
ISSN
0098-1354

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Quantum chemistry on parallel computer a
โœ Alistair P. Rendell; Timothy J. Lee; Roland Lindh ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 924 KB

We present a formulation of the singles and doubles coupled-cluster (CCSD) method suitable for distributed memory parallel computer architectures. Results from test calculations using up to 128 nodes of the Intel i860 hypercube are presented. Although the new algorithm is highly parallel, the asympt