Potential energy curves determination and relative properties of NaSr+ molecular ion for the ground and several excited states

Mouna Ben Hadj Ayed; Riadh Dardouri; Hanen Souissi; Khalid A. Alamry; Brahim Oujia; Florent Xavier Gadéa

doi:10.1140/epjd/e2017-70498-x

2021 Impact factor 1.611

Atomic, Molecular, Optical and Plasma Physics

Eur. Phys. J. D (2017) 71: 58
https://doi.org/10.1140/epjd/e2017-70498-x

Regular Article

Potential energy curves determination and relative properties of NaSr⁺ molecular ion for the ground and several excited states

Mouna Ben Hadj Ayed¹, Riadh Dardouri¹^a, Hanen Souissi¹, Khalid A. Alamry², Brahim Oujia² and Florent Xavier Gadéa³

¹ Laboratoire de Physique Quantique, Faculté des Sciences de Monastir, Université de Monastir, Avenue de l’Environnement, 5019 Monastir, Tunisia
² University of Jeddah, Faculty of Science, Jeddah, Kingdom of Saudi Arabia
³ Laboratoire de Chimie et Physique Quantique, UMR5626 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062 Toulouse Cedex 4, France

^a e-mail: dardouririad@yahoo.fr

Received: 5 August 2016
Received in final form: 20 November 2016
Published online: 9 March 2017

Abstract

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 (T_e, D_e, R_e and ω_e) and vibrational levels as well as their spacing have been derived. Moreover, dipolar properties of the different symmetries (13¹Σ, 11³Σ, 9^1,3Π and 4^1,3Δ) 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.