Relativistic Fock-space multireference coupled cluster theory with full iterative triples for the one-, two-, and three-hole sectors.

The relativistic Fock-space coupled cluster method with full iterative inclusion of connected triple excitations (FS-CCSDT) for the 1h0p, 2h0p, and 3h0p Fock space sectors was presented and implemented. The newly developed methods were benchmarked in…

Preview only. Read the full abstract at the source