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Analytic potentials and vibrational energies for Li2 states dissociating to mbox{Li}left\(2Sright\)+mbox{Li}left\(3Pright\). Part 1: The 2S+1Πu/g states

arXiv
Authors: Nikesh S. Dattani

Year

2015

Paper ID

27082

Status

Preprint

Abstract Read

~2 min

Abstract Words

199

Citations

N/A

Abstract

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.

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  • Analytic potentials are built for all four ^2S+1Πu/g states of Li2 dissociating to Li(2S) + Li(3P): 3b(3^3Πu), 3B(3^1Πu), 3C(3^1Πg), and 3d(3^3Πg).

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