Solving Coupled Cluster Equations by the Newton Krylov Method

We describe using the Newton Krylov method to solve the coupled cluster equation. The method uses a Krylov iterative method to compute the Newton correction to the approximate coupled cluster amplitude. The multiplication of the Jacobian with a vector, which is required in each step of a Krylov iter...

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Detalles Bibliográficos
Autores principales: Yang, Chao, Brabec, Jiri, Veis, Libor, Williams-Young, David B., Kowalski, Karol
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7758425/
https://www.ncbi.nlm.nih.gov/pubmed/33363108
http://dx.doi.org/10.3389/fchem.2020.590184

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7758425/
https://www.ncbi.nlm.nih.gov/pubmed/33363108
http://dx.doi.org/10.3389/fchem.2020.590184

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