Photoinduced dynamics of ethene in the N, V, and Z valence states: A six-dimensional nonadiabatic quantum dynamics investigation

The photoinduced dynamics of ethene in the N, V, and Z valence was investigated, using six-dimensional nonadiabatic quantum dynamics. The multiconfigurational time-dependent Harteee method was used for the quantum wave-packet calculations, for a time period up to 100 fs. The calculation of the autocorrelation function of the wave packet and the stationary absorption spectrum of the V state was also performed. It was observed that the torsional mode and the C-C stretching mode was accounted for the extended vibrational structure of the absorption spectrum.