Abstract
Eight electronic states of the NF2+ ion have been calculated by a second-order CI (SOCI) method employing complete active space (CASSCF) reference wavefunctions and large triple zeta plus polarization basis sets. In analogy to O2+2, there are two low-lying quasibound electronic states. The calculated position of the 3 Pi state at 5.7 eV above the X 1 Sigma + ground state agrees with the recent experimental observation of Rogers et al. (1990). The spectroscopic data of the ground state agree reasonably well with the calculations of Wong et al (1989) but are believed to be more accurate.
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