Xchem

Xchem is integrated by an interdisciplinary group of researchers and collaborators which aim to develop state-of-the-art time-dependent methods to address newly emerging fundamental questions about the role of sub-fs and attosecond coherent electron dynamics in chemical reactivity.

XChem project aims at developing theoretical approaches and computational tools for time-resolving and controlling molecular autoionization in the presence of ultra-fast vibrational motion, attosecond charge migration dynamics in molecules upon ionization, coupled electron-nuclear dynamics during non-adiabatic transitions, with emphasis on the role of electronic coherence created prior or during the transition, and chemical reactivity.