Using an ab initio approach based on pseudopotential technique, pair potential approach, core polarization potentials, and large Gaussian basis sets, we investigate interaction of heavy alkali−krypton diatomic M−Kr (M = Rb, Cs, and Fr) van der Waals dimers. In this context, the core−core interactions for M + − Kr (M = Rb, Cs, and Fr) are calculated at coupled-cluster single and double excitation (CCSD) level and included in the total potential energy. Therefore, the potential energy curves are performed for 14 electronic states: eight of 2 Σ + symmetry, four of 2 Π symmetry, and two of 2 Δ symmetry. Furthermore, for each M−Kr dimer, the spin−orbit coupling has been considered for the B 2 Σ + , A 2 Π, 3 2 Σ + , 2 2 Π, 5 2 Σ + , 3 2 Π, and 1 2 Δ states. In addition, the transition dipole moment has been determined, including the spin−orbit effect using the rotational matrix issued from the spin−orbit potential energy calculations.