A mixed quantum-classical description of pheophorbide a linear absorption spectra: Quantum-corrections of the Q(y)- and Q(x)-absorption vibrational satellites

Joerg Megow (1) , Alexander Kulesza (2) , Volkhard May (3)

1 University of Potsdam = Universität Potsdam
2 ILM - Institut Lumière Matière [Villeurbanne]
3 Institut fur Physik, Humboldt Universitat zu Berlin

The ground-state classical path approximation is utilized to compute molecular absorption spectra in a mixed quantum-classical frame. To improve the description for high-frequency vibrational satellites, related quantum correction factors are introduced. The improved method is demonstrated for the Q_{y<.sub>- and Qx-bands of pheophorbide a.}

Domaines: Chimie; Physique [physics]; Sciences de l'ingénieur [physics]

Joerg Megow, Alexander Kulesza, Volkhard May. A mixed quantum-classical description of pheophorbide a linear absorption spectra: Quantum-corrections of the Q(y)- and Q(x)-absorption vibrational satellites. Chemical Physics Letters, 2016, 643, pp.61-65. ⟨10.1016/j.cplett.2015.11.016⟩. ⟨hal-02290226⟩