Relativistic coupled-cluster calculations for open-shell atoms
- 1 January 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 47 (1) , 137-142
- https://doi.org/10.1103/physreva.47.137
Abstract
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.Keywords
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