Important correlation effects for the Er < sup> 3+ 4f < sup> 11 < sup> 4 S < inf> 3/2 → < sup> 4 I < inf> 15/2 laser transition energy
Most of the important correlation effects transitions within the 4fn manifold of rare-earth atomic ions are identified as coming from three sources: 4f2 pair correlations, single excitations from the valence shell and shallow core, and pair excitations where both of the electrons go into the incomplete 4f subshell (exclusion effects). A method (REDUCE) of managing the large basis sets encountered is discussed. Relativistic configuration interaction calculations are done to obtain the energy of the laser transition (in, e.g., GaN) Er3+4I15/2 → 4S3/2, to which correlation contributes ∼4000 cm-1. The residual error of 864 cm-1 may be due to missing second-order effects and to truncation of the angular basis. © 2002 Wiley Periodicals, Inc. Int. J. Quantum Chem.
International Journal of Quantum Chemistry
Important correlation effects for the Er < sup> 3+ 4f < sup> 11 < sup> 4 S < inf> 3/2 → < sup> 4 I < inf> 15/2 laser transition energy.
International Journal of Quantum Chemistry,
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