Theoretical electric quadrupole transition probabilities for Ca, Sr and Ba

The 1 D- 1 S quadrupole transition probabilities for Ca, Sr and Ba have been computed using extended GTO and STO valence basis sets and configuration-interaction wavefunctions that include the important core-valence correlation effects. For Ba and Sr, the relativistic contraction of the core orbitals was accounted for in the GTO calculations by a relativistic effective-core potential. The authors' computed Einstein coefficient for Ca of 39.6 s -1 is in excellent agreement with the recent experimental value of 40+or-8 s -1 . Their best Einstein coefficients for Sr (44.7 s -1 ) and Ba (2.98 s -1 ) imply increasing quadrupole line strengths down the column. Relativistic effects substantially increase the quadrupole Einstein coefficient for Ba.