Semiclassical calculation of electronic spectra of supercooled anharmonic molecules

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Abstract
The electronic absorption spectrum of supercooled methyl benzene is calculated using a semiclassical procedure which avoids the calculation of the vibronic eigenstates. Classical trajectories are used to generate the time dependent potential energy gap [U(τ)] for the electronic transition. This energy gap is utilized to calculate the spectrum. This procedure may be easily applied to large anharmonic polyatomic molecules. (AIP)