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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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| Publicado no: | Front Chem |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Frontiers Media S.A.
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7758425/ https://ncbi.nlm.nih.gov/pubmed/33363108 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2020.590184 |
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