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A theoretical investigation of the lowest molecular states of LuBr located below 41,700cm−1 in the 2S+1Λ(+/−) and Ω(±) representations when including the spin-orbit effects, has been performed through SA-CASSCF and MRCI calculations. Potential energy curves have been determined for 21 2S+1Λ(+/−) and 42Ω(±) molecular states in the range of 1.70 to 3.50Å and the spectroscopic constants (Re, Te, ωe and...