Electron trapping into a temporary state metastable with respect to electron ejection lies at core of various processes, incdluing plasmonic photocatalysis, radiation damage of biomolecules, and many other. Theoretical description of both energetics and lifetimes of these states present significant challenge as the states belong to continoues spectrum of the Hamiltonian, and therefore, conventional electronic structure techniques developed for bound electronic states cannot be used. In this talk, we will present recently developed models extending multireference perturbation theory for metastable electronic states. The performance of the new methods will be demonstrated for several representative molecular shape and Feshbach resonances.

Metastable states: electronic structure, dynamics, and chemistry

2019 Spring National Meeting

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