Tensor Hypercontraction Form of the Perturbative Triples Energy in Coupled-Cluster Theory

[Image: see text] We present the working equations for a reduced-scaling method of evaluating the perturbative triples (T) energy in coupled-cluster theory, through the tensor hypercontraction (THC) of the triples amplitudes (t(ijk)(abc)). Through our method, we can reduce the scaling of the (T) ene...

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Detalles Bibliográficos
Autores principales: Jiang, Andy, Turney, Justin M., Schaefer, Henry F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10018738/
https://www.ncbi.nlm.nih.gov/pubmed/36802552
http://dx.doi.org/10.1021/acs.jctc.2c00996

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10018738/
https://www.ncbi.nlm.nih.gov/pubmed/36802552
http://dx.doi.org/10.1021/acs.jctc.2c00996

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