Parallelization of multi-reference coupled-cluster method

DOI10.1016/S0167-8191(00)00019-3MaRDI QIDQ1575577zbMATH OpenDBLPWikidataFDO

Authors J. I. Landman, Piotr Piecuch

Publication date 21 August 2000

Published in Parallel Computing (Search for Journal in Brave)

zbMATH Keywords

parallel efficiencymulti-reference coupled-cluster methodOpenMP directivesshared-memory parallel systemsstate-universal coupled-cluster theory

Mathematics Subject Classification ID

Modes of computation (nondeterministic, parallel, interactive, probabilistic, etc.) (68Q10)

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(3)

• Coupled cluster algorithms for networks of shared memory parallel processors
• An single program multiple data strategy for calculation of anharmonic vibrations
• Combined shared and distributed memory \textit{ab-initio} computations of molecular-hydrogen systems in the correlated state: Process pool solution and two-level parallelism

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