2015/09/23 by Nikesh S. Dattani, Dattani, Nikesh S.
Physics and Astronomy · #Atomic and Molecular Physics #Nuclear physics research studies #Advanced Chemical Physics Studies
paper · pdf · doi:10.48550/arxiv.1509.07041
Analytic potentials are built for all four 2S+1Πu/g states of Li2 dissociating to Li(2S) + Li(3P): 3b(33Πu), 3B(31Πu), 3C(31Πg), and 3d(33Πg). These potentials include the effect of spin-orbit coupling for large internuclear distances, and include state of the art long-range constants. This is the first successful demonstration of fully analytic diatomic potentials that capture features that are usually considered too difficult to capture without a point-wise potential, such as multiple minima, and shelves. Vibrational energies for each potential are presented for the isotopologues 6,6Li2, 6,7Li2, 7,7Li2, and the elusive `halo nucleonic molecule' 11,11Li2. These energies are claimed to be accurate enough for new high-precision experimental setups such as the one presented in [Sebastian et al. Phys. Rev. A, 90, 033417 (2014)] to measure and assign energy levels of these electronic states, all of which have not yet been explored in the long-range region. Measuring energies in the long-range region of these electronic states may be significant for studying the ab initio vs experiment discrepancy discussed in [Tang et al. Phys. Rev. A, 84, 052502 (2014)] for the C3 long-range constant of Lithium, which has significance for improving the SI definition of the second.