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Photoionization using attosecond pulses can lead to the formation of coherentsuperpositions of the electronic states of the parent ion. However, ultrafastelectron ejection triggers not only electronic but also nucleardynamics---leading to electronic decoherence, which is typically neglected ontime scales up to tens of femtoseconds. We propose a full quantum-dynamicaltreatment of nuclear motion in an adiabatic framework, where nuclearwavepackets move on adiabatic potential energy surfaces expanded up to secondorder at the Franck-Condon point. We show that electronic decoherence is causedby the interplay of a large number of nuclear degrees of freedom and by therelative topology of the potential energy surfaces. Application to$\mathrm{H_2O}$, paraxylene, and phenylalanine shows that an initially coherentstate evolves to an electronically mixed state within just a few femtoseconds.In these examples the fast vibrations involving hydrogen atoms do not affectelectronic coherence at short times. Conversely, vibrational modes involvingthe whole molecular skeleton, which are slow in the ground electronic state,quickly destroy it upon photoionization.

Electronic decoherence following photoionization: full quantum-dynamical treatment of the influence of nuclear motion