Back to Search
Start Over
Electronic structure and photoassociation scheme of ultracold (MgK+) molecular ions.
- Source :
-
Journal of Physics B: Atomic, Molecular & Optical Physics . 2/28/2019, Vol. 52 Issue 4, p1-1. 1p. - Publication Year :
- 2019
-
Abstract
- The adiabatic potential energy curves, permanent and transition dipole moments (TDMs) of the highly-excited states of the MgK+ molecular ion have been computed as a function of the inter-nuclear distance R. The results are obtained by an ab initio approach involving a non-empirical pseudo-potential for the Mg and K cores, correlation treatment for core valence through an effective core polarisation potential, and full valence configuration interaction. The molecule is thus treated as a two electron system. Ab initio electronic TDM functions are calculated for all dipole-allowed transitions among the 42 states of MgK+. Many of these moment functions exhibit interesting behaviour due to charge transfer or ion-atom pair correlations. The positions of a number of satellite bands are predicted from the potential energy difference curves. We verified our results by performing complete active space self-consistent field calculations followed by a multireference configuration interaction and including Davidson correction. We observe a rather good agreement for most of them especially for the ground and lower excited states. We investigate ion-atom cold collisions at quantum regime. Furthermore, we explore ion-atom elastic collisions at low temperatures, predicting the formation of translationally and rotationally cold molecular ion MgK+ in the ground state electronic potential by stimulated Raman type process. Our results are important in the perspective of upcoming experiments aiming at merging cold alkali atom and alkaline-earth ion in a hybrid trap for the creation of cold molecular ions by photoassociation. [ABSTRACT FROM AUTHOR]
- Subjects :
- *ULTRACOLD molecules
*ELECTRONIC structure
*DIPOLE moments
Subjects
Details
- Language :
- English
- ISSN :
- 09534075
- Volume :
- 52
- Issue :
- 4
- Database :
- Academic Search Index
- Journal :
- Journal of Physics B: Atomic, Molecular & Optical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 134371411
- Full Text :
- https://doi.org/10.1088/1361-6455/aaf9e7