Abstract
The lowest bound states in the 2Σ u,g and 2Π u,g symmetry subspaces of the molecular ion Be 2 + are studied within the adiabatic approximation. Using MRDCI procedure and large Gaussian basis sets, the corresponding potential energy curves are calculated; vibrational-rotational energy levels are then obtained by solving the rovibronic Schrödinger equation. The ground state of Be 2 + is found to have 2Σ u + symmetry with equilibrium distance R e=2.236 Å and dissociation energy D e=2.01 eV. Various possibilities for transitions between the computed adiabatic curves are discussed.
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