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Ultracold YbAg molecules have been recently proposed as promising candidatesfor electron electric dipole moment searches [Verma, Jayich, and Vutha, Phys.Rev. Lett. 125, 153201 (2020)]. Here, we calculate potential energy curves,permanent electric dipole and quadrupole moments, and static electric dipolepolarizabilities for the YbCu, YbAg, and YbAu molecules in their groundelectronic states. We use the coupled cluster method restricted to single,double, and noniterative triple excitations with large Gaussian basis sets,while the scalar relativistic effects are included within the small-coreenergy-consistent pseudopotentials. We find that the studied molecules arerelatively strongly bound with the well depths of 5708$\,$cm$^{-1}$,5253$\,$cm$^{-1}$, 13349$\,$cm$^{-1}$ and equilibrium distances of5.50$\,$bohr, 5.79$\,$bohr, 5.55$\,$bohr for the YbCu, YbAg, and YbAu,respectively. They have large permanent electric dipole moments of 3.2$\,$D,3.3$\,$D, and 5.3$\,$D at equilibrium distances, respectively. We alsocalculate equilibrium geometries and energies of corresponding trimers. Thestudied molecules are chemically reactive unless they are segregated in anoptical lattice or shielded with external fields. The investigated moleculesmay find application in ultracold controlled chemistry, dipolar many-bodyphysics, or precision measurement experiments.

Interaction potentials, electric moments, polarizabilities, and chemical reactions of YbCu, YbAg, and YbAu molecules