Abstract
The X 2B 1 ground and the 4A 2, 2A 1(I), 2A 1(II), 2A 2, 2B 2(I), 2B 2(II), 4B 1, and 2B 1(II) excited states of SbF 2 together with the 1A 1, 3B 1, 1B 1 electronic states of the SbF 2 + ion have been investigated. We employ relativistic ab initio complete active space self-consisted field (CASSCF) followed by multi-reference singles and doubles configuration interaction (MRSDCI) methods which include up to 1.8 million configurations. The potential energy curves, spectroscopic properties, the adiabatic ionization energy, and the dissociation energies were computed.
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