A variety of properties of the a1Δ excited state of PF computed by configuration interaction calculations

Extended basis set configuration interaction calculations on the first known excited state (a (1)Delta) 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 (DeltaG(1+1/2)); (iii) rotational excitations; (iv) selected one-electron properties such as the electric multipole moments, the F-17 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(3)Sigma (-) ground state and related homologous diatomics. (C) 2001 Elsevier Science B.V. All rights reserved.