Addressing the System-Size Dependence of the Local Approximation Error in Coupled-Cluster Calculations

[Image: see text] Over the last two decades, the local approximation has been successfully used to extend the range of applicability of the “gold standard” singles and doubles coupled-cluster method with perturbative triples CCSD(T) to systems with hundreds of atoms. The local approximation error gr...

Descripción completa

Detalles Bibliográficos
Autores principales: Altun, Ahmet, Ghosh, Soumen, Riplinger, Christoph, Neese, Frank, Bistoni, Giovanni
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8607505/
https://www.ncbi.nlm.nih.gov/pubmed/34730360
http://dx.doi.org/10.1021/acs.jpca.1c09106

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8607505/
https://www.ncbi.nlm.nih.gov/pubmed/34730360
http://dx.doi.org/10.1021/acs.jpca.1c09106

Ejemplares similares