1. Molecular line lists: The ro-vibrational spectra of NaF and KF.
- Author
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Frohman, Daniel J., Bernath, Peter F., and Brooke, James S.A.
- Subjects
- *
VIBRATIONAL spectra , *SODIUM fluoride , *POTASSIUM fluoride , *DIPOLE moments , *DATA analysis - Abstract
Rotation–vibration line lists for 23 Na 19 F, 39 K 19 F, and 41 K 19 F in their ground electronic states are presented. Experimental data previously collected for infrared transitions up to v =8 and v =9 for KF [1] and NaF [2] , respectively, and for pure rotational transitions have been used to construct potential energy curves to yield ro-vibrational energy levels. Dipole moment functions were generated from ab initio calculations using the SA-CASSCF and ACPF methods. Full line lists and partition functions are made available as supplementary data. [ABSTRACT FROM AUTHOR]
- Published
- 2016
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