Potential energy curves and spectroscopic constants for some diatomic systems
- 1 September 1973
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 6 (9) , L233-L236
- https://doi.org/10.1088/0022-3700/6/9/003
Abstract
Using a minimal basis set of atomic orbitals the diatomic systems F2, F2+ and F2- have been examined by means of complete configuration interaction (CI) calculations whereas, for NF, NF- and F2++, 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.Keywords
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