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

Abstract : 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 Qy<.sub>- and Qx-bands of pheophorbide a.
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Submitted on : Tuesday, September 17, 2019 - 2:49:36 PM
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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, Elsevier, 2016, 643, pp.61-65. ⟨10.1016/j.cplett.2015.11.016⟩. ⟨hal-02290226⟩

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