Important correlation effects for the Er3+ 4f11 4S3/2 → 4I15/2 laser transition energy

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Department of Physics


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.

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© 2002 Wiley Periodicals, Inc. Int. J. Quantum Chem. Publisher’s version of record:

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International Journal of Quantum Chemistry