Journal
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
Volume 42, Issue 15, Pages -Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0953-4075/42/15/154025
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In this paper, using a standard quantum chemistry approach based on pseudopotentials for atomic core representation, Gaussian basis sets and effective core polarization potentials, we investigate the electronic properties of the MgH+ ion. We first determine potential energy curves for several states using different basis sets and discuss their predicted accuracy by comparing our values of the well depths and position with other available results. We then calculate permanent and transition dipole moments for several transitions. Finally, for the first time, we calculate the static dipole polarizability of MgH+ as a function of the interatomic distance. This study represents the first step towards the modelling of collisions between trapped cold Mg+ ions and H-2 molecules.
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