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Ultracold diatomic molecules find application in quantum studies ranging fromcontrolled chemistry and precision measurement physics to quantum many-bodysimulation and potentially quantum computing. Accurate knowledge of molecularproperties is required to guide and explain ongoing experiments. Here, in anextensive and comparative study, we theoretically investigate the electronicproperties of the ground-state diatomic molecules composed of alkali-metal (Li,Na, K, Rb, Cs, Fr) and alkaline-earth-metal (Be, Mg, Ca, Sr, Ba, Ra) atoms. Westudy 78 hetero- and homonuclear diatomic combinations, including 21alkali-metal molecules in the $X^1\Sigma^+$ and $a^3\Sigma^+$ electronicstates, 36 alkali-metal--alkaline-earth-metal molecules in the $X^2\Sigma^+$electronic state, and 21 alkaline-earth-metal molecules in the $X^1\Sigma^+$electronic state. We calculate potential energy curves, permanent electricdipole moments, and polarizabilities using the hierarchy of coupled clustermethods upto CCSDTQ with large Gaussian basis sets and small-core relativisticenergy-consistent pseudopotentials. We collect and analyze correspondingspectroscopic constants. We estimate computational uncertainties and comparethe present values with previous experimental and theoretical data to establisha new theoretical benchmark. The presented results should be useful for furtherapplication of the studied molecules in modern ultracold physics and chemistryexperiments.

Diatomic molecules of alkali-metal and alkaline-earth-metal atoms: interaction potentials, dipole moments, and polarizabilities