A full dimensional investigation of infrared spectroscopy of the RbCs dimer using the multi-configuration time-dependent Hartree method
- State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006 (China)
The geometry and infrared absorption spectrum of (RbCs){sub 2} have been studied by full dimensional quantum dynamics simulations. For this purpose, the potential energy and dipole moment surfaces are generated by means of a cluster expansion with all two and three mode correlations, and fitted to analytical expressions with negligible deviations. Accordingly, the ground state (RbCs){sub 2} has a diamond geometry with D{sub 2h} symmetry. The infrared spectrum with frequencies up to 120 cm{sup −1}, exhibits rich details of the fundamentals, overtones, and combination bands; the highest fundamental frequency of (RbCs){sub 2} is only 40.26 cm{sup −1}. The present study unravels important details of the interactions between the widely investigated ultracold RbCs molecules.
- OSTI ID:
- 22253161
- Journal Information:
- Journal of Chemical Physics, Vol. 139, Issue 24; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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