Optimization of the Coupled Cluster Implementation in NWChem on Petascale Parallel Architectures
Anisimov, Victor M, Bauer, Gregory H, Chadalavada, Kalyana, Olson, Ryan M, Glenski, Joseph W, Kramer, William T. C, Aprà, Edoardo, Kowalski, Karol
Published in Journal of chemical theory and computation (14.10.2014)
Published in Journal of chemical theory and computation (14.10.2014)
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