FCIQMC-Tailored Distinguishable Cluster Approach

[Image: see text] The tailored approach is applied to the distinguishable cluster method together with a stochastic FCI solver (FCIQMC). It is demonstrated that the new method is more accurate than the corresponding tailored coupled cluster and the pure distinguishable cluster methods. An F12 correc...

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Detalles Bibliográficos
Autores principales: Vitale, Eugenio, Alavi, Ali, Kats, Daniel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7482318/
https://www.ncbi.nlm.nih.gov/pubmed/32786911
http://dx.doi.org/10.1021/acs.jctc.0c00470

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7482318/
https://www.ncbi.nlm.nih.gov/pubmed/32786911
http://dx.doi.org/10.1021/acs.jctc.0c00470

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