Accurate Calculations of Electronic Properties of Alkali Dimers for Ultracold Molecule Formation
- Laboratoire Aime Cotton, CNRS, Bat. 505, Campus d'Orsay, 91405 Orsay cedex (France)
The realization of ultracold samples of dipolar molecules is a current challenge which requires an accurate knowledge of their electronic properties to guide ongoing experiments. Using a standard quantum chemistry approach based on pseudopotentials for atomic core representation, Gaussian basis sets and effective core polarization potentials, we have investigated the properties of homonuclear and hetero-nuclear alkali dimers involving all pairs of atoms from Li to Fr. In addition to the potential curves for ground and excited states for various symmetries, we have calculated permanent and transition dipole moments as function of the interatomic distance and of the vibrational level. When appropriate, we will discuss the comparison with previous experimental or theoretical results.
- OSTI ID:
- 21035873
- Journal Information:
- AIP Conference Proceedings, Vol. 935, Issue 1; Conference: ISC 2007: 2. international spectroscopy conference, Sousse (Tunisia), 25-28 Mar 2007; Other Information: DOI: 10.1063/1.2795407; (c) 2007 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
- Country of Publication:
- United States
- Language:
- English
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