Rovibrational study and dipole moment calculation of the molecule YF with spin-orbit interaction

The electronic transition moments of lowest electronic states of YF molecule have been investigated by using the electronic wave functions obtained from a previous ab initio (CASSCF and MRCI) calculation for the lowest 20 bound states in the representation 2S+1Λ(+/−) (neglecting spin-orbit effects) and 41 electronic states in the representation Ω(+/−) (including spin-orbit effects). Based on a canonical functions approach for the determination of the vibrational wave functions the eigenvalues Ev, the rotational constants Bv, and abscissas of the corresponding turning points (Rmin and Rmax) have been investigated for all these states up to v = 23. The comparison of the present results with those available in the literature shows a very good agreement.