Response of C-60 and C-n to ultrashort laser pulses - art. no. 153105

In this paper we introduce a method for realistic simulations of nonadiabat ic processes, including the interaction of light with matter. Calculations of the response Of C-60 and carbon chains to laser pulses demonstrate that even rather subtle features are correctly described. For example, in C-60 t he pentagonal-pinch models dominant at low fluence, the breathing mode is d ominant at high fluence, and dimers are preferentially emitted during photo fragmentation. In carbon chains, on the other hand, trimers tend to be brok en off. After collisional fragmentation, the remnants of a C-60 molecule te nd to reform their bonds, yielding new 5, 6, or 7 membered rings.