Magrakvelidze, M.Aikens, C. M.Thumm, U.2023-12-072023-12-072012-08-01https://hdl.handle.net/2097/43876We investigated the nuclear dynamics of diatomic molecular ions in intense laser fields by analyzing their fragment kinetic-energy release (KER) spectra as a function of the pump-probe delay τ. Within the Born-Oppenheimer (BO) approximation, we calculated ab initio adiabatic potential-energy curves and their electric dipole couplings, using the quantum chemistry code gamess. By comparing simulated KER spectra as a function of either τ or the vibrational quantum-beat frequency for the nuclear dynamics on both individual and dipole-coupled BO potential curves with measured spectra, we developed a scheme for identifying electronic states that are relevant for the dissociation dynamics. We applied this scheme to investigate the nuclear dynamics in O2+ ions that are produced by ionization of neutral O2 molecules in an ultrashort infrared (IR) pump pulse and dissociate due to the dipole coupling of molecular potential curves in a delayed IR probe laser field.© American Physical Society (APS). This Item is protected by copyright and/or related rights. You are free to use this Item in any way that is permitted by the copyright and related rights legislation that applies to your use. For other uses you need to obtain permission from the rights-holder(s).http://rightsstatements.org/vocab/InC/1.0/https://web.archive.org/web/20181120135245/https://journals.aps.org/copyrightFAQ.htmlText