Jagau Lab

University of Leuven

Vlaams Gewest (BE2) · Belgium

ERC-funded
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Research focus

ERC Consolidator Grant · 2025

Theory of nonradiative decay with two or more electrons at play

UNBOUND TWO aims to develop the quantum chemistry methods that are needed to interpret next-generation spectroscopy involving two or more unbound electrons and to understand chemical reactions involving unbound doubly-excited states. Emerging spectroscopies can probe correlations between two electrons, which is fundamentally impossible with techniques that probe only one electron. To gain information about electronic and molecular structure from such spectra, theoretical modeling is key. However, existing methods are able to deal with only one emitted electron or they are geared toward atoms. As a result, the full potential of spectroscopy is not yet realized for molecules. Electron…

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