Formation of ultracold SrYb molecules in an optical lattice by photoassociation spectroscopy: theoretical prospects

Abstract

State-of-the-art {\em ab initio} techniques have been applied to compute the potential energy curves for the SrYb molecule in the Born-Oppenheimer approximation for the ground state and first fifteen excited singlet and triplet states within the coupled-cluster framework. The leading long-range coefficients describing the dispersion interactions at large interatomic distances are also reported. The electric transition dipole moments have been obtained as the first residue of the polarization propagator computed with the linear response coupled-cluster method restricted to single and double excitations. Spin-orbit coupling matrix elements have been evaluated using the multireference configuration interaction method restricted to single and double excitations with a large active space. The electronic structure data was employed to investigate the possibility of forming deeply bound ultracold SrYb molecules in an optical lattice in a photoassociation experiment using continuous-wave lasers. Photoassociation near the intercombination line transition of atomic strontium into the vibrational levels of the strongly spin-orbit mixed $b^3{\Sigma }^{+}$, $a^3\Pi$, $A^1\Pi$, and $C^1\Pi$ states with subsequent efficient stabilization into the $v^{\prime \prime }=1$ vibrational level of the electronic ground state is proposed. Ground state SrYb molecules can be accumulated by making use of collisional decay from $v^{\prime \prime }=1$ to $v^{\prime \prime }=0$. Alternatively, photoassociation and stabilization to $v^{\prime \prime }=0$ can proceed via stimulated Raman adiabatic passage provided that the trapping frequency of the optical lattice is large enough and phase coherence between the pulses can be maintained over at least tens of microseconds.

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• Cold interactions between an Yb${}^{+}$ ion and a Li atom: Prospects for sympathetic cooling, radiative association, and Feshbach resonances
• Rovibrational dynamics of the strontium molecule in the A^1Σ_u^+, c^3Π_u, and a^3Σ_u^+ manifold from state-of-the-art ab initio calculations
• Observation of collisions between cold Li atoms and Yb${}^{+}$ ions
• Mass scaling and non-adiabatic effects in photoassociation spectroscopy of ultracold strontium atoms
• Interactions and chemical reactions in ionic alkali-metal and alkaline-earth-metal diatomic $A{B}^{+}$ and triatomic $A_2{B}^{+}$ systems
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• Optimized production of ultracold ground-state molecules: Stabilization employing potentials with ion-pair character and strong spin-orbit coupling
• Ground and excited state properties of the polar and paramagnetic RbSr molecule: a comparative study
• Diatomic molecules of alkali-metal and alkaline-earth-metal atoms: interaction potentials, dipole moments, and polarizabilities
• Rotation of cold molecular ions inside a Bose-Einstein condensate
• Energetics and control of ultracold isotope-exchange reactions between heteronuclear dimers in external fields
• Formation of deeply bound ultracold Sr_2 molecules by photoassociation near the ^1S + ^3P_1 intercombination line
• Ab initio properties of the ground-state polar and paramagnetic europium-alkali-metal-atom and europium-alkaline-earth-metal-atom molecules
• Prospects for ultracold polar and magnetic chromium-closed-shell-atom molecules
• Laser control of ultracold molecule formation: The case of RbSr
• Relativistic calculations of $C_6$ and $C_8$ coefficients for strontium dimers
• Combining Slater-type orbitals and effective core potentials
• Chemical reactions of ultracold alkaline-earth-metal diatomic molecules
• Interactions and charge transfer dynamics of an Al${}^{+}$ ion immersed in ultracold Rb and Sr atoms
• Excited electronic states of Sr${}_2$: ab initio predictions and experimental observation of the $2^1{\Sigma }_u^{+}$ state
• Ab initio electronic structure of the Sr${}_2^{+}$ molecular ion
• Cold interactions and chemical reactions of linear polyatomic anions with alkali-metal and alkaline-earth-metal atoms