The nonadiabatically coupled dynamics of electrons and nuclei is investigated for the ozone molecule on the attosecond time scale. A coherent superposition of nuclear wave packets located on different electronic states in the Chappuis and in the Hartley bands are created by pump pulses. The multiconfiguration time-dependent Hartree method is used to solve the coupled nuclear quantum dynamics in the framework of the adiabatic separation of the time-dependent Schrödinger equation including nonadiabatic couplings. Our nuclear wave-packet calculations demonstrate that the coherence between Hartley state B and one of the Chappuis states (Chappuis 1) is significantly large, while it is almost negligible for the other two cases (between Hartley B and Chappuis 2 or between Chappuis 1 and Chappuis 2). At present we limited our description of the electronic motion to the Franck-Condon region only due to the localization of the nuclear wave packets around this point during the first 5-6 fs.
|Journal||Physical Review A - Atomic, Molecular, and Optical Physics|
|Publication status||Published - okt. 22 2012|
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics