3,240 research outputs found
Properties from relativistic coupled-cluster without truncation: hyperfine constants of , , and
We demonstrate an iterative scheme for coupled-cluster properties
calculations without truncating the dressed properties operator. For
validation, magnetic dipole hyperfine constants of alkaline Earth ions are
calculated with relativistic coupled-cluster and role of electron correlation
examined. Then, a detailed analysis of the higher order terms is carried out.
Based on the results, we arrive at an optimal form of the dressed operator.
Which we recommend for properties calculations with relativistic
coupled-cluster theory.Comment: 13 pages, 4 figures, 5 table
- …