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6.16 Memory Options and Parallelization of Coupled-Cluster Calculations

6.16.1 Introduction

(July 14, 2022)

The coupled-cluster suite of methods, which includes ground-state methods mentioned earlier in this Chapter and excited-state methods in the next chapter, has been parallelized to take advantage of distributed memory and multi-core architectures. The code is parallelized at the level of the underlying tensor algebra library. 316 Epifanovsky E. et al.
J. Comput. Chem.
(2013), 34, pp. 2293.