Coupled-Channel Analysis of the D ^1Π - d ^3Π Complex in NaK; Potential Energy Curves and Spin-Orbit Functions

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Two-colour polarization labeling experiments measuring the D ← X system of NaK have characterised more than 99 % of the potential well of the D 1Π state of NaK, the last observed level being located 7 cm-1 below the Na(3p ^2P3/2) + K(4s) atomic asymptote. The vibrational progressions all exhibit irregular intervals, because of strong interactions with the nearby d ^3Π state. A comprehensive analysis has now been made of all available data concerning the {D 1Π} and {d 3Π} states. The potential curves are represented by Morse/Lennard Jones analytical functions, with ab initio constraints on the long-range part of V(R). Morse functions are also used to represent the R-dependent diagonal and off-diagonal spin-orbit terms. Initial values for the spin-orbit coupling matrix elements were extracted from quasi-relativistic ab initio calculations. In total, 29 parameters were required to recalculate 95 % of the 1400 observed term energies to within experimental uncertainty, giving an unweighted standard deviation 0.03 cm-1.
A Adohi-Krou et al. J. Mol. Spectrosc. 250 27 (2008)
P. Kowalczyk J. Mol. Spectrosc. 136 1 (1989)

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