Abstract :
Extended basis set configuration interaction calculations on the first known excited state (a 1Δ) of PF have been performed and are presented for the first time. A variety of properties are reported including: (i) spectroscopic constants; (ii) vibrational energies and anharmonicity parameters (ΔGv+1/2); (iii) rotational excitations; (iv) selected one-electron properties such as the electric multipole moments, the 17F electric nuclear quadrupole coupling, the second moments of the charge distribution, etc.; (v) vibrational electric dipole moments; (vi) cascade vibrational lifetimes. Good agreement is obtained with the restricted number of experimental data available. The accuracy of the present results is discussed and compared with that obtained for the X 3Σ− ground state and related homologous diatomics.
