Theoretical electronic structure of the alkali-dimer cation Rb2+

Theoretical spin-orbit structure of the alkali dimer cation K2+

“…When comparing present results for K + 2 with those obtained for Rb + 2 [15] and for Cs + 2 [16] using a similar approach, some trends can be pointed out. Quite a lot of states are found to be purely repulsive for the three cations, their number increases …”

“…The efficiency of the theoretical approach used here for K + 2 is now well-established in describing accurately such one-activeelectron homonuclear systems [15][16][17]. The present calculations were performed using a pseudopotential method that includes a treatment of spin-orbit coupling.…”

Cold hybrid ion-atom systems

“…where the expressions in round brackets are 3j symbols, 2S+1 L||Q 2(4) || 2S+1 L is the reduced matrix element of the quadrupole (hexadecapole) moment, and α 0 (iω) and α 2 (iω) are the scalar and tensor components of the dynamic electric dipole polarizability at imaginary frequency of the atom in the 2S+1 L state. The electronic structure data, including the potential energy curves for the ground and excited electronic states, transition electric dipole moments, and matrix elements of the spin-orbit coupling have been calculated for several ion-atom systems relevant for ongoing experimental efforts: (Na+Ca) + (Gacesa et al, 2016;Makarov et al, 2003), (Rb+Ba) + (Knecht et al, 2010;Krych et al, 2011), (Li/Na/K/Rb/Cs+Sr) + , (Rb+Ca) + (Belyaev et al, 2012;Tacconi et al, 2011), (Rb+Yb) + (Lamb et al, 2012;McLaughlin et al, 2014;Sayfutyarova et al, 2013), (Li+Yb) + da Silva Jr et al, 2015;Tomza et al, 2015), (Ca/Sr/Ba/Yb+Cr) + (Tomza, 2015), (Li+Be) + (Ghanmi et al, 2017), (Li+Mg) + (ElOualhazi and , (Li+Ca) + (Saito et al, 2017), (Li+Sr) + (Jellali et al, 2016), (Rb+Ca/Sr/Ba/Yb) + (da Silva Jr et al, 2015), (Na/Ka/Rb+Be) + (Ladjimi et al, 2018), (Li+Li) + (Bouchelaghem and Bouledroua, 2014;Bouzouita et al, 2006;Musia l et al, 2015), (Na+Na) + (Berriche, 2013;Bewicz et al, 2017), (K+K) + (Skupin et al, 2017), (Rb+Rb) + (Jraij et al, 2003;Jyothi et al, 2016), (Cs+Cs) + (Jamieson et al, 2009;Jraij et al, 2005), (Li+Na) + (Li et al, 2015;Musia l et al, 2018), (Li+K) + (Berriche et al, 2005;…”

Theoretical study of low‐lying electronic states of the LiRb+ molecular ion: Structure, spectroscopy and transition dipole moments

“…In addition, they can further help us to understand the Bose–Einstein condensation phenomenon, which was observed for the first time in 1995 16–20. In this context and to guide experimental and theoretical efforts for studying ultracold systems when ions are present, several theoretical studies by different authors have been performed on the homonuclear and heteronuclear alkali dimer cations 21–38. To our best knowledge, there are no experimental studies and only few theoretical studies have been performed on the LiRb + molecular ion.…”