Response of C(60) and C(n) to ultrashort laser pulses
Abstract
In this paper we introduce a method for realistic simulations of nonadiabatic 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) the pentagonal-pinch models dominant at low fluence, the breathing mode is dominant at high fluence, and dimers are preferentially emitted during photofragmentation. In carbon chains, on the other hand, trimers tend to be broken off. After collisional fragmentation, the remnants of a C(60) molecule tend to reform their bonds, yielding new 5, 6, or 7 membered rings.
Description
Journals published by the American Physical Society can be found at http://journals.aps.org/Subject
DENSITY-FUNCTIONAL THEORYCARBON
FRAGMENTATION
SIMULATIONS
FULLERENE
DYNAMICS
SYSTEMS
Physics