2010
DOI: 10.1063/1.3462245
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Structure and spectroscopy of ground and excited states of LiYb

Abstract: Multireference configuration interaction and coupled cluster calculations have been carried out to determine the potential energy curves for the ground and low-lying excited states of the LiYb molecule. The scalar relativistic effects have been included by means of the Douglas-Kroll Hamiltonian and effective core potential and the spin-orbit couplings have been evaluated by the full microscopic Breit-Pauli operator. The LiYb permanent dipole moment, static dipole polarizability, and Franck-Condon factors have … Show more

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Cited by 38 publications
(47 citation statements)
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“…The potential curve of Zhang et al [17] supports 24 bound states for 6 LiYb. However, it is probably accurate to only a few percent, and variations within this uncertainty are enough to span the entire range of scattering length a from þ1 to À1.…”
mentioning
confidence: 93%
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“…The potential curve of Zhang et al [17] supports 24 bound states for 6 LiYb. However, it is probably accurate to only a few percent, and variations within this uncertainty are enough to span the entire range of scattering length a from þ1 to À1.…”
mentioning
confidence: 93%
“…In the present Letter we consider the topical system Li þ Yb, which is under experimental investigation by at least two groups and has also been investigated using electronic structure calculations [16,17]. We show that the mechanism we previously proposed does produce Feshbach resonances in this system, but that for bosonic (spin-zero) isotopes of Yb they are extremely narrow.…”
mentioning
confidence: 99%
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“…The resulting potential curves are shown in Fig. 2, together with the LiYb curve of Zhang et al [38], obtained using similar methods but with a fully relativistic ECP for Yb. The well depths and equilibrium distances are given in Table I.…”
Section: Potential Energy Curvesmentioning
confidence: 99%
“…That might allow the experimentalist to modify the scattering length in the ultracold mixture of Rb and Sr and control the behaviour of quantum gas of such atoms. It is worth mentioning that several other similar species are subject to intense ongoing research, like YbLi [30][31][32][33][34] and YbRb [35][36][37].…”
Section: Introductionmentioning
confidence: 99%