caa a22 4500 445865040 CHVBK 20180317145455.0 cr unu---uuuuu 170323e20110901xx s 000 0 eng 10.1140/epjd/e2011-10689-y doi (NATIONALLICENCE)springer-10.1140/epjd/e2011-10689-y Ab initio study of spectroscopic properties of the calcium hydride molecular ion [Elektronische Daten] [H. Habli, H. Ghalla, B. Oujia, F.X. Gadéa] In the present work, all adiabatic potential energy curves, spectroscopic constants and dipole moments of CaH+ molecular ion dissociating below the ionic limit Ca2+H− are presented. These curves are determined by an ab initio approach involving a non-empirical pseudo-potential for the Ca core, core-valence correlation accounted in operator form with two types of core polarization potentials (CPP) and full valence Configuration Interaction. The molecule is thus treated as a two-electron system. The potential energy curves and the spectroscopic constants are presented. In addition, the permanent and transition dipole moments are calculated for most of the states and reveal the underlying ionic states. A rather good agreement with the available theoretical works in the literature is obtained for the spectroscopic constants of the lowest states of the CaH+ molecule. EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2011 Habli H. Laboratoire de Physique Quantique, Faculté des Sciences de Monastir, Avenue de l'Environnement 5019, Monastir, Tunisia aut Ghalla H. Laboratoire de Physique Quantique, Faculté des Sciences de Monastir, Avenue de l'Environnement 5019, Monastir, Tunisia aut Oujia B. Laboratoire de Physique Quantique, Faculté des Sciences de Monastir, Avenue de l'Environnement 5019, Monastir, Tunisia aut Gadéa F.X. Laboratoire de Chimie et Physique Quantique, UMR5626 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062, Toulouse Cedex 4, France aut The European Physical Journal D Springer-Verlag 64/1(2011-09-01), 5-19 1434-6060 64:1<5 2011 64 10053 https://doi.org/10.1140/epjd/e2011-10689-y text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1140/epjd/e2011-10689-y text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Habli H. Laboratoire de Physique Quantique, Faculté des Sciences de Monastir, Avenue de l'Environnement 5019, Monastir, Tunisia aut NATIONALLICENCE 700 1- Ghalla H. Laboratoire de Physique Quantique, Faculté des Sciences de Monastir, Avenue de l'Environnement 5019, Monastir, Tunisia aut NATIONALLICENCE 700 1- Oujia B. Laboratoire de Physique Quantique, Faculté des Sciences de Monastir, Avenue de l'Environnement 5019, Monastir, Tunisia aut NATIONALLICENCE 700 1- Gadéa F.X. Laboratoire de Chimie et Physique Quantique, UMR5626 du CNRS, Université de Toulouse, UPS, 118 route de Narbonne, 31062, Toulouse Cedex 4, France aut NATIONALLICENCE 773 0- The European Physical Journal D Springer-Verlag 64/1(2011-09-01), 5-19 1434-6060 64:1<5 2011 64 10053 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer