Implementation of the Coupled-Cluster Method with Single, Double, and Triple Excitations using Tensor Decompositions
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DOI: 10.1021/acs.jctc.9b00985
Abstract: We report a complete implementation of the coupled-cluster method with single, double, and triple excitations (CCSDT) where tensor decompositions are used to reduce its scaling and overall computational costs. For the decomposition of the electron… read more here.
Keywords: tensor; implementation coupled; single double; cluster method ... See more keywords