Publication - Journal Article Optimization of the Coupled Cluster Implementation in NWChem on Petascale Parallel Architectures

https://doi.org/10.1021/ct500404c
Journal Article
Journal of Chemical Theory and Computation, vol. 10, iss. 10, pp. 4307-4316, 2014
Authors
Victor M. Anisimov, Gregory H. Bauer, Kalyana Chadalavada, Ryan M. Olson, Joseph W. Glenski, William T. C. Kramer, Edoardo Aprà, Karol Kowalski
English