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Title: A full dimensional investigation of infrared spectroscopy of the RbCs dimer using the multi-configuration time-dependent Hartree method

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.
Authors:
; ; ;  [1]
  1. State Key Laboratory of Quantum Optics and Quantum Optics Devices, Institute of Laser Spectroscopy, Shanxi University, Taiyuan 030006 (China)
Publication Date:
OSTI Identifier:
22253161
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 139; Journal Issue: 24; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTRA; ABSORPTION SPECTROSCOPY; DIPOLE MOMENTS; GROUND STATES; INFRARED SPECTRA; INTERACTIONS; POTENTIAL ENERGY; SIMULATION; TIME DEPENDENCE