Electro-Nuclear Dynamics of Single and Double Ionization of H₂ in Ultrafast Intense Laser Pulses

Abstract

We present an efficient method for modeling the single and double ionization dynamics of the H 2 molecule in ultrashort, intense laser fields. This method is based on a semianalytical approach to calculate the time-dependent single and double molecular ionization rates and on a numerical approach to describe the vibrational motion that takes place in the intermediate molecular ion H 2 + . This model allows for the prediction of the single and double ionization probabilities of the H 2 molecule to be made over a wide range of frequencies and laser intensities with limited computational time while providing a realistic estimate of the energy of the products of the dissociative ionization and of the Coulomb explosion of the H 2 molecule. The effect of vibrational dynamics on ionization yields and proton kinetic energy release spectra is demonstrated and, in the case of the latter, is discussed in terms of basic strong-field molecular fragmentation mechanisms.

Virtual Special Issue on Attosecond Chemistry

“…In the same line, Woźniak et al propose the use of new theoretical schemes for a full quantum mechanical treatment of the coupled electronic-nuclear motion induced by strong fields . Vigneau et al describe a combined semianalytical and numerical approach to calculate the time-dependent single and double molecular ionization rates of the H 2 molecule to account for the vibrational motion …”