Stability limit of highly charged C60 cations produced with an intense long-wavelength laser pulse:: Calculation of electronic structures by DFT and wavepacket simulation

We have theoretically investigated the stability of highly charged C-60(z+) cations produced with an intense ultrashort laser pulse of lambda similar to 1800 nm. By calculating the energies relevant to the dissociation of C-60(z+) such as the excess vibrational energy acquired upon sudden ionization, we find that C-60(z+) up to z similar to 12 can be produced as a stable or quasistable (mu s-order lifetime) intact parent cation. We have also investigated the vibrational dynamics induced by a near-infrared pulse of lambda similar to 1800 nm. The results indicate that large-amplitude vibration with energy of > 10 eV is induced in the delocalized h(g)(1)-like mode of C-60(z+). (c) 2006 Elsevier B.V. All rights reserved.