Abstract
Full potential energy curves and wavefunctions are calculated for NF and NF + in the Born-Oppenheimer approximation with a configuration interaction method employing a minimal basis of Slater type orbitals. Resulting energy differences, vibrational and rotational constants are compared to experimental results and predictions are made of these quantities for states which have not yet been experimentally identified.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have