Three-Body Excitations in Fock-Space Coupled-Cluster: Fourth Order Perturbation Correction to Electron Affinity and Its Relation to Bondonic Formalism

In this paper, we present a formulation of highly correlated Fock-space multi-reference coupled-cluster (FSMRCC) methods, including approximate triples on top of the FSMRCC with singles and doubles, which correct the electron affinities by at least at third and up to the fourth order in perturbation...

Descripción completa

Detalles Bibliográficos
Autores principales: Basumallick, Suhita, Putz, Mihai V., Pal, Sourav
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8396530/
https://www.ncbi.nlm.nih.gov/pubmed/34445657
http://dx.doi.org/10.3390/ijms22168953

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8396530/
https://www.ncbi.nlm.nih.gov/pubmed/34445657
http://dx.doi.org/10.3390/ijms22168953

Ejemplares similares