Abstract
Spectroscopic constants and potential energy curves of 27 electronic states of GeF + are computed using the complete active space self-consistent field (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods that included up to 1.6 million configurations. Our computed spectroscopic constants of the 1 Σ + electronic state fit well with the experimentally observed X ground state. Other yet to be observed properties of several excited electronic states are reported.
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