Nuclear dynamics in strong-field double ionization processes is predicted using a stochastic Monte Carlo wave packet technique. Using input from electronic structure calculations and strong-field electron dynamics the description allows for field-dressed dynamics within a given molecule as well as transitions between several different charge states. The description is computationally efficient and applicable to a wide range of systems. As a proof of principle, theoretical nuclear kinetic energy release spectra for H2 (D2) in strong near-infrared laser pulses of 40 fs duration are compared to experiments and very good agreement is obtained.

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Theoretical calculations on dissociative double ionization of H 2 and D 2 in short intense laser pulses using the Monte Carlo wave packet technique are presented for several different field intensities, wavelengths, and pulse durations. We find convincing agreement between theory and experimental results for the kinetic energy release spectra of the nuclei. Besides the correctly predicted spectra the Monte Carlo wave packet method offers insight into the nuclear dynamics during the pulse and makes it possible to address the origin of different structures observed in the spectra. Three-photon resonances in the singly ionized molecule and charge-resonance-enhanced ionization are shown to be the main processes responsible for the observed nuclear energy distributions.