화학공학소재연구정보센터
Chemical Physics Letters, Vol.643, 61-65, 2016
A mixed quantum-classical description of pheophorbide a linear absorption spectra: Quantum-corrections of the Q(y)- and Q(x)-absorption vibrational satellites
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),and Q(x)-bands of pheophorbide a. (C) 2015 Elsevier B.V. All rights reserved.