Density matrix propagation and stationary absorption spectra: HCl in rare gas matrixes

Neugebauer, F.May, V.Chergui, M.2006-02-272006-02-272006-02-271996https://infoscience.epfl.ch/handle/20.500.14299/225757The computation of stationary optical spectra of mol. systems based on a wavepacket propagation on excited potential energy surfaces (PES) is extended to the condensed phase case in utilizing the d. matrix theory. As an example, a one-dimensional model is studied for the photodissocn. of matrix isolated HCl. Emphasis is put on the interplay of the cage effect and the energy dissipation into the matrix. [on SciFinder (R)]Density matrix propagation and stationary absorption spectra: HCl in rare gas matrixestext::conference output::conference proceedings::conference paper