Ab initio calculation of the KRb dipole moments

Details Ab initio calculation of the KRb dipole moments Ab initio calculation of the KRb dipole moments

2003-05-09

arxiv.org/abs/cond-mat/0305215v1

Physics

Condensed Matter

Soft Condensed Matter

16 pages, 7 figures

Scientific paper

10.1103/PhysRevA.68.022501

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 $X^1\Sigma^+$ potential is found to be 0.30(2) $ea_0$ at the equilibrium internuclear separation with excess negative charge on the potassium atom. For the $a^3\Sigma^+$ potential the dipole moment is an order of magnitude smaller (1 $ea_0=8.47835 10^{-30}$ Cm) In addition, we calculate transition dipole moments between the two ground-state and excited-state potentials that dissociate to the K(4s)+Rb(5p) limits. Using this data we propose a way to produce singlet $X^1\Sigma^+$ KRb molecules 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.

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