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We theoretically characterize interactions, energetics, and chemical reactionpaths in ionic two-body and three-body systems of alkali-metal andalkaline-earth-metal atoms in the context of modern experiments with coldhybrid ion-atom mixtures. Using \textit{ab initio} techniques of quantumchemistry such as the coupled-cluster method, we calculate ground-stateelectronic properties of all diatomic $AB^+$ and most of triatomic $A_2B^+$molecular ions consisting of Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba, and Yb atoms.Different geometries and wave-function symmetries of the ground state are foundfor different classes of molecular ions. We analyze intermolecular interactionsin the investigated systems including additive two-body and nonadditivethree-body ones. As an example we provide two-dimensional interaction potentialenergy surfaces for KRb$^+$+K and Rb$^+$+Sr$_2$ mixtures. We identify possiblechannels of chemical reactions based on the energetics of the reactants. Thepresent results may be useful for investigating controlled chemical reactionsand other applications of molecular ions formed in cold hybrid ion-atomsystems.

Interactions and chemical reactions in ionic alkali-metal and alkaline-earth-metal diatomic $AB^+$ and triatomic $A_2B^+$ systems