Computerized implementation of higher‐order electron‐correlation methods and their linear‐scaling divide‐and‐conquer extensions
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DOI: 10.1002/jcc.24912
Abstract: We have implemented a linear‐scaling divide‐and‐conquer (DC)‐based higher‐order coupled‐cluster (CC) and Møller–Plesset perturbation theories (MPPT) as well as their combinations automatically by means of the tensor contraction engine, which is a computerized symbolic algebra system.… read more here.
Keywords: divide conquer; higher order; correlation methods; correlation ... See more keywords