The electron and nuclear dynamics of acetylene when interacting with strong short laser pulses has been simulated in the framework of real-space Time Dependent Density Functional Theory (TDDFT) and molecular dynamics. The stretching and dissociation of individual bonds are reported, and are shown to depend on the laser field intensity and orientation relative to the laser polarization. The ionization dynamics, including ionization from individual Kohn-Sham orbitals, is also reported. The orbital ionization dynamics are shown to vary with an increase in the intensity of the laser field.
|Journal of Physics: Conference Series
|Published - 2014
|3rd International Conference on Mathematical Modeling in Physical Sciences, IC-MSQUARE 2014 - Madrid, Spain
Duration: Aug 28 2014 → Aug 31 2014
ASJC Scopus subject areas
- General Physics and Astronomy