The CANDECOMP/PARAFAC factorization, also known as the canonical polyadic (CP) decomposition, is a general-purpose format that maximizes the decoupling of the tensor modes but is hard to compute efficiently and accurately, thus it is seem poorly suited for application in physical simulation. Here we will review our recent efforts to obtain reduced-cost and reduced-complexity coupled cluster methods through the use of the CP factorization. First, we will discuss the <i>robust</i> use of CP decomposition for approximating the ladder diagrams in the coupled-cluster method. Second, we will demonstrate effective use of the CP factorization in combination with other approximations for efficient evaluation of the (T) energy.

Reduced complexity coupled-cluster method by canonical polyadic factorization

ACS Spring 2022

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