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arXiv:1409.1191 · Physical Review A

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

Michał Tomza

Published Aug 22, 2014• 19 citations
arXivHTMLPDF

Abstract

The properties of the electronic ground state of the polar and paramagnetic europium--$S\text{-state-atom}$ molecules have been investigated. Ab initio techniques have been applied to compute the potential energy curves for the europium--alkali-metal-atom, $\mathrm{Eu}X(X=\mathrm{Li},\mathrm{Na},\mathrm{K},\mathrm{Rb},\mathrm{Cs})$, europium--alkaline-earth-metal-atom, $\mathrm{Eu}Y(Y=\mathrm{Be},\mathrm{Mg},\mathrm{Ca},\mathrm{Sr},\mathrm{Ba})$, 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.

DOI
10.1103/physreva.90.022514

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