Electronic structure of the Magnesium hydride molecular ion

Abstract

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 function of the interatomic distance. This study represents the first step towards the modeling of collisions between trapped cold Mg${}^{+}$ ions and H${}_2$ molecules.

submitted to J. Phys. B, special issue on Cold trapped ions

References in corpus (7)

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• Mesoscopic molecular ions in Bose-Einstein condensates
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Cited by in corpus (6)

• Non-destructive state detection for quantum logic spectroscopy of molecular ions
• The ground state of the polar alkali-Strontium molecules: potential energy curve and permanent dipole moment
• Structure of the Alkali-metal-atom-Strontium molecular ions: towards photoassociation and formation of cold molecular ions
• Reversing Hydride Ion Formation in Quantum Information Experiments with Be${}^{+}$
• Decay rate measurement of the first vibrationally excited state of MgH${}^{+}$ in a cryogenic Paul trap
• Femtosecond wavepacket interferometry using the rotational dynamics of a trapped cold molecular ion