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Ab Initio Calculation of the KRb Dipole Moments



Svetlana A. Kotochigova, Paul S. Julienne, Eite Tiesinga


The relativistic configuration interaction valence bond method has been used to calculate permanent and transition electric dipole moments of the KRb heteronuclear molecule as a function of internuclear separation. The permanent dipole moment of the ground state X1Sigma+ and a3Sigma+ potentials are found to be 0.30(2) ea0 and 0.00046(0.028) ea0 at their equilibrium internuclear separation, respectively. Here, 1 ea0=8.47835 10**{30} Cm and one standard-deviation uncertainties are given in parenthesis. In addition, we calculate transition dipole moments between the two ground state potentials and excited states correlating to the K(4s)+Rb(5p) limits. Using this data we propose a way to produce singlet X1Sigma+Krbmolecules by a two-photon Raman process starting from an ultracold mixture of doubly spin-polarized ground state K and Rb atoms. This Raman process is only allowed due to relativistic spin-orbit couplings and the absence of gerade/ungerade selection rules in heteronuclear dimers.
Physical Review A (Atomic, Molecular and Optical Physics)


electronic structure, molecular dipole moment, photoassociation spectroscopy, potassium rubidium dimmer, ultra-cold collisions


Kotochigova, S. , Julienne, P. and Tiesinga, E. (2003), Ab Initio Calculation of the KRb Dipole Moments, Physical Review A (Atomic, Molecular and Optical Physics) (Accessed June 24, 2024)


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Created August 1, 2003, Updated February 17, 2017