title: Fock space multireference coupled cluster method with full inclusion of connected triples for excitation energies.
abstract: We report the initial Fock space multireference coupled cluster method with the full inclusion of single, double, and triple excitations (FS-CCSDT) for the (1,1) sector. We present pilot applications for calculating excitation energies for the N(2) molecule and the Ne atom. The performance of the current model, along with the FS-CCSD one, has been studied in comparison with the equation-of-motion coupled-cluster and the similarity transformed methods.
authors.affiliation: Quantum Theory Project, Department of Chemistry, University of Florida, Gainesville, Florida 32611, USA.
authors.forename: Monika
authors.initials: M
authors.lastname: Musiał
authors.forename: Rodney J
authors.initials: RJ
authors.lastname: Bartlett