Miscellaneous property computations on the X 3Σ−-state of phosphorus monofluoride by configuration interaction calculations Original Research Article

Extended basis set configuration interaction calculations on the ground state of phosphorus monofluoride PF(X 3Σ−) have been achieved. Several properties are reported, classified as follows: (i) spectroscopic constants; (ii) vibrational energies and related anharmonicity parameters; (iii) pure rotational excitations; (iv) selected one-electron properties such as electric multipole moments, anisotropic hyperfine parameters, 17F nuclear quadrupole coupling and others; (v) vibrational dipole moments; (vi) cascade vibrational lifetimes. Good agreement is obtained with the restricted number of experimental data available. A comparison is made between the accuracy of the present results and that of analogous diatomics for which supplementary experimental data have been reported.