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UNBOUND TWO aims to advance quantum chemistry methods to understand chemical reactions involving two unbound electrons. This project focuses on developing theoretical models that can interpret complex spectroscopic data to enhance our understanding of molecular structures and reactions.
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…
KATHOLIEKE UNIVERSITEIT LEUVEN
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