Accurate potential energy curves, transition moments, spectroscopic constants, radiative transition probabilities, and lifetimes for the states X 2 Σ + and A 2 Π of BeF, MgF and CaF are reported using high level calculations. Diagonal transitions dominate for the A 2 Π → X 2 Σ + system. Radiative lifetimes for ν = 0 are predicted to be 6.81 ns, 7.16 ns and 19.48 ns, respectively for BeF, MgF and CaF. The result calculated for the CaF molecule are in excellent agreement with the experimental result equal to 21.9 ± 4.0 ns.
Potential energy curves, dipole and transition moment functions, spectroscopy constants, radiative transition probabilities, and lifetimes for the two lower-lying doublet states (X 2 ⌸ and A 2 ⌺ ϩ ) of the BeB, MgB, and CaB molecules are reported with multireference singles and doubles configuration interaction methodology. Radiative lifetimes for Ј ϭ 0 are predicted to be 158 s, 281 s, and 87 s for BeB, MgB, and CaB, respectively. The strongest transitions from Ј ϭ 0 should occur to vibrational levels Љ ϭ 0 and 1 for BeB, to Љ ϭ 2 and 3, for MgB and to Љ ϭ 3 and 4 for CaB.
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