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- W1983497914 abstract "We present a shared-memory parallelization of our open-source, local correlation multi-reference framework, TigerCI. Benchmarks of the total parallel speedup show a reasonable scaling for typical modern computing system setups. The efficient use of available computing resources will extend simulations on this high level of theory into a new size regime. We demonstrate our framework using local-correlation multireference computations of alkyl-substituted dioxirane and solvated methyl nitrene as examples." @default.
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- W1983497914 date "2014-12-01" @default.
- W1983497914 modified "2023-09-24" @default.
- W1983497914 title "Shared-memory parallelization of a local correlation multi-reference CI program" @default.
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- W1983497914 doi "https://doi.org/10.1016/j.cpc.2014.08.016" @default.
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