Electronic resonances play important role in science and technology. In particular, these transient states are key players in electron-induced processes such as dissociative electron attachment. This lecture will review the extension of quantum chemistry methods to treat states in the continuum [1] and illustrate its capabilities by simulations of pyrrole resonances. The spectroscopic signatures of resonances in electron energy loss spectra (EELS) provide insights into their properties. Theoretical results are compared against experimental data from Prof. Juraj Fedor laboratory.

Spectroscopy in the continuum: Recent progress in non-Hermitian Quantum Chemistry

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ACS Fall 2022

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