Potential energy curves and spectroscopic constants for some diatomic systems

Using a minimal basis set of atomic orbitals the diatomic systems F 2 , F 2 + and F 2 - have been examined by means of complete configuration interaction (CI) calculations whereas, for NF, NF - and F 2 ++ , a complete valence CI treatment was employed. Potential energy curves were determined with the object of calculating spectroscopic constants and, where possible, such results were compared with previous calculations and also with experiment.