Schutski, RomanZhao, JinmoHenderson, Thomas M.Scuseria, Gustavo E.2018-06-292018-06-292017Schutski, Roman, Zhao, Jinmo, Henderson, Thomas M., et al.. "Tensor-structured coupled cluster theory." <i>The Journal of Chemical Physics,</i> 147, no. 18 (2017) AIP Publishing: https://doi.org/10.1063/1.4996988.https://hdl.handle.net/1911/102325We derive and implement a new way of solving coupled cluster equations with lower computational scaling. Our method is based on the decomposition of both amplitudes and two electron integrals, using a combination of tensor hypercontraction and canonical polyadic decomposition. While the original theory scales as O(N6) with respect to the number of basis functions, we demonstrate numerically that we achieve sub-millihartree difference from the original theory with O(N4) scaling. This is accomplished by solving directly for the factors that decompose the cluster operator. The proposed scheme is quite general and can be easily extended to other many-body methods.engArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.Tensor-structured coupled cluster theoryJournal articlehttps://doi.org/10.1063/1.4996988