強レーザー場中の超高速分子ダイナミクスの理論

抄録

We developed a time-dependent (TD) adiabatic state approach to investigate the electronic and nuclear dynamics of molecules in intense laser fields. We applied the approach to reveal the mechanism of the selective dissociation of C-O and C-C bonds of ethanol by intense near-infrared (IR) laser pulses. The results indicate that field-induced nonadiabatic transition plays a decisive role in the reaction of molecules in intense laser fields. We also investigated the stability of highly charged C₆₀ cations produced with an ultrashort near-IR pulse. The effects of nonlinear interactions with pulses are taken into account by combining classical molecular dynamics with the TD adiabatic state approach. The results indicate that large-amplitude vibration with energy of>30 eV is induced in the delocalized h_g (1)-like mode of C₆₀ or C^z+₆₀. The vibrational energy deposited and mode selectivity can be controlled by a pulse train, i. e., by changing the intervals between pulses.