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Pseudospectral correlation methods on distributed memory parallel architectures

✍ Scribed by Todd J. Martinez; Emily A. Carter

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 565 KB
Volume: 241
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)00654-m

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✦ Synopsis

We describe an efficient implementation of the pseudospectral multi-reference single-and double-excitation configuration interaction method on a distributed memory parallel architecture. Near-linear speedups are achieved up to 16 processors for a single-reference test case, demonstrating that pseudospectral methods are uniquely suited to parallel processing.

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