Approaching Coupled Cluster Accuracy with Density Functional Theory Using the Generalized Connectivity-Based Hierarchy.

Raghavachari, Krishnan; Maier, Sarah; Collins, Eric M; Debnath, Sibali; Sengupta, Arkajyoti.

Raghavachari K; Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States.
Maier S; Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States.
Collins EM; Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States.
Debnath S; Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States.
Sengupta A; Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States.

J Chem Theory Comput ; 19(13): 3763-3778, 2023 Jul 11.

Article en En | MEDLINE | ID: mdl-37338997

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2023 Tipo del documento: Article

Texto completo: 1 Banco de datos: MEDLINE Idioma: En Año: 2023 Tipo del documento: Article