Potential energy curves determination and relative properties of NaSr+ molecular ion for the ground and several excited states
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- Ben Hadj Ayed, M., Dardouri, R., Souissi, H. et al. Eur. Phys. J. D (2017) 71: 58. doi:10.1140/epjd/e2017-70498-x
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This work is focused to studying the electronic properties of NaSr+ cationic molecule. In this calculation, ab initio approach has been used including pseudopotential model, effective core potentials (ECP), and a full configuration interaction (FCI). Then, the first 50 electronic states are easily investigated over a large interval ranging from 4 to 300 a.u. of internuclear distance. From these investigated states, molecular spectroscopic parameters (Te, De, Re and ωe) and vibrational levels as well as their spacing have been derived. Moreover, dipolar properties of the different symmetries (131Σ, 113Σ, 91,3Π and 41,3Δ) for several states are determined for the first time as function as internuclear distance. Spectroscopic constants are then compared with the unique available theoretical study that is only limited to the study of the first 11 electronic states. Good agreement was obtained. According to our knowledge, no experimental study of NaSr+ system was done until now. The present theoretical study is realized aiming to be the first step toward the formation of ultracold polar molecular ion.