caa a22 4500 445866578 CHVBK 20180317145459.0 cr unu---uuuuu 170323e20110501xx s 000 0 eng 10.1140/epjd/e2011-10572-y doi (NATIONALLICENCE)springer-10.1140/epjd/e2011-10572-y Theoretical study of the MgAr molecule and its ion Mg+Ar: potential energy curves and spectroscopic constants [Elektronische Daten] [W. Gaied, H. Habli, B. Oujia, F. Gadea] The adiabatic potential energy curves of the low-lying electronic states of the MgAr molecule dissociating into Mg (3s, 3p, 4s, 3d, 4p, 5s, 4d, 5p)+Ar have been investigated. The electronic structure of the Mg-Ar molecule is calculated using [Mg2+] and [Ar] core pseudopotentials complemented by the core polarization operators for both atoms, considering the molecule to be a two-electron system. The derived spectroscopic constants of the ground state and lower excited states are in good agreement with available experimental and theoretical work. In addition, for the purpose of checking the pseudopotential accuracy on a simpler related system, low lying potential energy curves of the single active electron Mg+Ar ion are also reported and the corresponding molecular constants are compared with those in the existing literature. EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2011 Gaied W. Faculté des Sciences de Monastir, Laboratoire de Physique Quantique, 5019, Monastir, Tunisia aut Habli H. Faculté des Sciences de Monastir, Laboratoire de Physique Quantique, 5019, Monastir, Tunisia aut Oujia B. Faculté des Sciences de Monastir, Laboratoire de Physique Quantique, 5019, Monastir, Tunisia aut Gadea F. Laboratoire de Chimie et Physique Quantique, UMR 5626 du CNRS, Université Paul Sabatier, 118 route de Narbonne, 31062, Toulouse Cedex, France aut The European Physical Journal D Springer-Verlag 62/3(2011-05-01), 371-378 1434-6060 62:3<371 2011 62 10053 https://doi.org/10.1140/epjd/e2011-10572-y text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1140/epjd/e2011-10572-y text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Gaied W. Faculté des Sciences de Monastir, Laboratoire de Physique Quantique, 5019, Monastir, Tunisia aut NATIONALLICENCE 700 1- Habli H. Faculté des Sciences de Monastir, Laboratoire de Physique Quantique, 5019, Monastir, Tunisia aut NATIONALLICENCE 700 1- Oujia B. Faculté des Sciences de Monastir, Laboratoire de Physique Quantique, 5019, Monastir, Tunisia aut NATIONALLICENCE 700 1- Gadea F. Laboratoire de Chimie et Physique Quantique, UMR 5626 du CNRS, Université Paul Sabatier, 118 route de Narbonne, 31062, Toulouse Cedex, France aut NATIONALLICENCE 773 0- The European Physical Journal D Springer-Verlag 62/3(2011-05-01), 371-378 1434-6060 62:3<371 2011 62 10053 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer