Hyperfine structure constants of (d+ s) < sup> 3 states in La I and the Zr II and Hf II isoelectronic sequences
Department of Physics
Accurate results for hyperfine structure (HFS) constants of (d + s)n states often require the inclusion of both correlation and relativistic effects. Without these, Dirac-Fock HFS constants may have the wrong sign, the energies of uppermost d″ levels may be wrong by over 1 eV. Here, we demonstrate that these problems persist well into an isoelectronic sequence, and identify the principle configurations needed to achieve accurate results.
International Journal of Quantum Chemistry
Hyperfine structure constants of (d+ s) < sup> 3 states in La I and the Zr II and Hf II isoelectronic sequences.
International Journal of Quantum Chemistry,
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