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13 . Although many theoretical works agree with experimental results, the symmetry of the ground state is still in discussion, balancing between the singlet C2v group and the triplet D3h one. Oyedepo et al. 13 recently performed multireference correlation consistent composite approach (MRccCA) calculations of Si3, predicting geometries, total atomization energy (TAE) and the singlettriplet gap (S-T Gap). They showed that this system have a strong multireference (MR) character.

Accurate Multireference Electronic Structure Calculations on the Si3 Molecule