Multireference Double Electron Attached Coupled Cluster Method with Full Inclusion of the Connected Triple Excitations: MR-DA-CCSDT

• Published in: Journal of chemical theory and computation Vol. 7; no. 10; pp. 3088 - 3096
• Main Authors: Musiał, Monika, Kucharski, Stanisław A, Bartlett, Rodney J
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 11.10.2011
• Subjects: Quantum Electronic Structure

The multireference (MR) double electron attached (DA) coupled cluster (CC) method with full inclusion of the connected triple excitations has been applied to study various kinds of MR situations. The MR-DA-CCSDT (S, Singles; D, Doubles; T, Triples) equations have been derived and implemented in an e...