RELATIVISTIC COUPLED-CLUSTER CALCULATIONS FOR OPEN-SHELL ATOMS

Ground- and excited-state energies are calculated by the relativistic coupled-cluster open-shell Fock-space method for Li, C, O, F, and Na and their ions. The coupled-cluster approximation including single and double excitations in a self-consistent manner, is implemented. The no-pair Dirac-Coulomb Hamiltonian is taken as the starting point. Mean-length basis sets of balanced Gaussian spinors are used to span the atomic orbitals.