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Autoionizing electronic states are common intermediates in processesinitiated by electron impact or high-energy radiation. These states belong tothe continuous spectrum of the Hamiltonian, and as such cannot be treated withmethods developed for bound electronic states. Here we propose a new model fordescribing metastable electronic states, which combines discretized Feshbachprojection formalism and multireference perturbation theory and exploitsabsorbing potential to generate the basis of the coupled valence state andcontinuum. The results of benchmark calculations for a series of shaperesonances in polyatomic molecules are in good agreement with experimental andtheoretical reference values.

Feshbach projection XMCQDPT2 model for metastable electronic states