Ab initio relativistic calculation of the RbCs molecule.

نویسندگان

  • S Kotochigova
  • E Tiesinga
چکیده

We apply the relativistic configuration-interaction valence-bond method to calculate various characteristics of the alkali-metal RbCs dimer. These include the electronic potentials and transition dipole moments between the ground and first excited states and permanent dipole moments of the X 1sigma+ and a 3sigma+ states of the ground configuration. In addition, we estimate the lifetime of the rovibrational levels of the X state due to blackbody radiation. These data can help experimentalists to optimize photoassociative formation of ultracold RbCs molecules and their longevity in a trap or in an optical lattice. Extended basis sets, constructed from Dirac-Fock and Sturm's orbitals, have been used to ensure convergence of our calculations. We compare our data with other theoretical and experimental results when they were available.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 123 17  شماره 

صفحات  -

تاریخ انتشار 2005