COUPLED-CHANNEL ANALYSIS OF THE $D\,^1\Pi - d\,^3\Pi$ COMPLEX IN NaK; POTENTIAL ENERGY CURVES AND SPIN-ORBIT FUNCTIONS
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Date
2010
Journal Title
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Volume Title
Publisher
Ohio State University
Abstract
Two-colour polarization labeling experiments measuring the $D\,\leftarrow\,X$ system of NaK have characterised more than 99 \% of the potential well of the $D$~$^{1}\Pi$ state of NaK, the last observed level being located 7 cm$^{-1}$ below the Na(3p $^2P_{3/2}$) + K(4s) atomic asymptote. The vibrational progressions all exhibit irregular intervals, because of strong interactions with the nearby $d$ $^3\Pi$ state. A comprehensive analysis has now been made of all available data concerning the ${D~^{1}\Pi}$ and ${d~^{3}\Pi}$ 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$^{-1}$.
Description
Author Institution: LASIM, Universite Lyon 1 \& CNRS, 43 Bd du 11 novembre 1918, F-69622 Villeurbanne, France\; Department of Chemistry, Moscow State University, 119992; Moscow, Russia\; Institute of Physics, Polish Academy of Sciences, Al.; Lotnikov 32/46, 02-668 Warsaw, Poland\; Institute of Experimental Physics, Warsaw University, ul.; Hoza 69, 00-681 Warsaw, Poland