Ab initio properties of the ground-state polar and paramagnetic europium-alkali-metal-atom and europium-alkaline-earth-metal-atom molecules

Abstract

The properties of the electronic ground state of the polar and paramagnetic europium-$S$-state-atom molecules have been investigated. Ab initio techniques have been applied to compute the potential energy curves for the europium-alkali-metal-atom, Eu$X$ ($X$=Li, Na, K, Rb, Cs), europium-alkaline-earth-metal-atom, Eu$Y$ ($Y$=Be, Mg, Ca, Sr, Ba), and europium-ytterbium, EuYb, molecules in the Born-Oppenheimer approximation for the high-spin electronic ground state. The spin restricted open-shell coupled cluster method restricted to single, double, and noniterative triple excitations, RCCSD(T), was employed and the scalar relativistic effects within the small-core energy-consistent pseudopotentials were included. The permanent electric dipole moments and static electric dipole polarizabilities were computed. The leading long-range coefficients describing the dispersion interaction between atoms at large internuclear distances $C_6$ are also reported. The EuK, EuRb, and EuCs molecules are examples of species possessing both large electric and magnetic dipole moments making them potentially interesting candidates for ultracold many-body quantum simulations when confined in an optical lattice in combined electric and magnetic fields.

8 pages, 5 figures, 1 table. arXiv admin note: text overlap with arXiv:1306.5450

References in corpus (11)

• A High Phase-Space-Density Gas of Polar Molecules
• Bose-Einstein condensation of chromium
• Bose-Einstein Condensation of Erbium
• Quantum degenerate dipolar Fermi gas
• Ultracold Molecules in the Ro-Vibrational Triplet Ground State
• Calculations of static dipole polarizabilities of alkali dimers. Prospects for alignment of ultracold molecules
• Molecular Dipolar Crystals as High Fidelity Quantum Memory for Hybrid Quantum Computing
• Controlling collisions of ultracold atoms with dc electric fields
• External field control of collective spin excitations in an optical lattice of ${}^2\Sigma$ molecules
• 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
• Enhancing photoassociation rates by non-resonant light control of shape resonances

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